N,3-dimethyl-5-(1-methyltetrazol-5-yl)aniline;methane;3-(methylamino)benzonitrile;N-methyl-3-(methylamino)benzamide;N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine;N-methyl-3-(1H-pyrazol-5-yl)aniline;N-methyl-3-pyridin-4-ylaniline;bis(N-methyl-3-(1,3-thiazol-4-yl)aniline);N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline — IUPAC name, SMILES, InChIKey & properties

Name: N,3-dimethyl-5-(1-methyltetrazol-5-yl)aniline;methane;3-(methylamino)benzonitrile;N-methyl-3-(methylamino)benzamide;N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine;N-methyl-3-(1H-pyrazol-5-yl)aniline;N-methyl-3-pyridin-4-ylaniline;bis(N-methyl-3-(1,3-thiazol-4-yl)aniline);N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About N,3-dimethyl-5-(1-methyltetrazol-5-yl)aniline;methane;3-(methylamino)benzonitrile;N-methyl-3-(methylamino)benzamide;N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine;N-methyl-3-(1H-pyrazol-5-yl)aniline;N-methyl-3-pyridin-4-ylaniline;bis(N-methyl-3-(1,3-thiazol-4-yl)aniline);N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline

N,3-dimethyl-5-(1-methyltetrazol-5-yl)aniline;methane;3-(methylamino)benzonitrile;N-methyl-3-(methylamino)benzamide;N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine;N-methyl-3-(1H-pyrazol-5-yl)aniline;N-methyl-3-pyridin-4-ylaniline;bis(N-methyl-3-(1,3-thiazol-4-yl)aniline);N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline (PubChem CID 159414352) has the molecular formula C89H102N26O2S2 and a molecular weight of 1632.11 g/mol. Its IUPAC name is N,3-dimethyl-5-(1-methyltetrazol-5-yl)aniline;methane;3-(methylamino)benzonitrile;N-methyl-3-(methylamino)benzamide;N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine;N-methyl-3-(1H-pyrazol-5-yl)aniline;N-methyl-3-pyridin-4-ylaniline;bis(N-methyl-3-(1,3-thiazol-4-yl)aniline);N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline.

Molecular Properties

Compound Name	N,3-dimethyl-5-(1-methyltetrazol-5-yl)aniline;methane;3-(methylamino)benzonitrile;N-methyl-3-(methylamino)benzamide;N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine;N-methyl-3-(1H-pyrazol-5-yl)aniline;N-methyl-3-pyridin-4-ylaniline;bis(N-methyl-3-(1,3-thiazol-4-yl)aniline);N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline
PubChem CID	159414352
Molecular Formula	C89H102N26O2S2
Molecular Weight	1632.11 g/mol
Exact Mass	1630.81
IUPAC Name	N,3-dimethyl-5-(1-methyltetrazol-5-yl)aniline;methane;3-(methylamino)benzonitrile;N-methyl-3-(methylamino)benzamide;N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine;N-methyl-3-(1H-pyrazol-5-yl)aniline;N-methyl-3-pyridin-4-ylaniline;bis(N-methyl-3-(1,3-thiazol-4-yl)aniline);N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline
SMILES	C.CNC(=O)c1cccc(NC)c1.CNc1cc(C)cc(-c2nnnn2C)c1.CNc1cccc(-c2ccn[nH]2)c1.CNc1cccc(-c2ccncc2)c1.CNc1cccc(-c2cscn2)c1.CNc1cccc(-c2cscn2)c1.CNc1cccc(-c2noc(NC)n2)c1.CNc1cccc(C#N)c1.CNc1cccc(C2N=CN=N2)c1
InChI	InChI=1S/C12H12N2.C10H13N5.C10H12N4O.C10H11N3.2C10H10N2S.C9H10N4.C9H12N2O.C8H8N2.CH4/c1-13-12-4-2-3-11(9-12)10-5-7-14-8-6-10;1-7-4-8(6-9(5-7)11-2)10-12-13-14-15(10)3;1-11-8-5-3-4-7(6-8)9-13-10(12-2)15-14-9;1-11-9-4-2-3-8(7-9)10-5-6-12-13-10;21-11-9-4-2-3-8(5-9)10-6-13-7-12-10;1-10-8-4-2-3-7(5-8)9-11-6-12-13-9;1-10-8-5-3-4-7(6-8)9(12)11-2;1-10-8-4-2-3-7(5-8)6-9;/h2-9,13H,1H3;4-6,11H,1-3H3;3-6,11H,1-2H3,(H,12,13,14);2-7,11H,1H3,(H,12,13);22-7,11H,1H3;2-6,9-10H,1H3;3-6,10H,1-2H3,(H,11,12);2-5,10H,1H3;1H4
InChIKey	LOYYZVDOAJLIRR-UHFFFAOYSA-N
XLogP	19.20
TPSA	360.14 Å²
H-Bond Donors	12
H-Bond Acceptors	28
Rotatable Bonds	18
Heavy Atoms	119
Complexity	—

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1632.11
LogP ≤ 5	19.20
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	28

Analyze N,3-dimethyl-5-(1-methyltetrazol-5-yl)aniline;methane;3-(methylamino)benzonitrile;N-methyl-3-(methylamino)benzamide;N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine;N-methyl-3-(1H-pyrazol-5-yl)aniline;N-methyl-3-pyridin-4-ylaniline;bis(N-methyl-3-(1,3-thiazol-4-yl)aniline);N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-5-(1-methyltetrazol-5-yl)aniline;methane;3-(methylamino)benzonitrile;N-methyl-3-(methylamino)benzamide;N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine;N-methyl-3-(1H-pyrazol-5-yl)aniline;N-methyl-3-pyridin-4-ylaniline;bis(N-methyl-3-(1,3-thiazol-4-yl)aniline);N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline?

The IUPAC name of N,3-dimethyl-5-(1-methyltetrazol-5-yl)aniline;methane;3-(methylamino)benzonitrile;N-methyl-3-(methylamino)benzamide;N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine;N-methyl-3-(1H-pyrazol-5-yl)aniline;N-methyl-3-pyridin-4-ylaniline;bis(N-methyl-3-(1,3-thiazol-4-yl)aniline);N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline (CID 159414352) is N,3-dimethyl-5-(1-methyltetrazol-5-yl)aniline;methane;3-(methylamino)benzonitrile;N-methyl-3-(methylamino)benzamide;N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine;N-methyl-3-(1H-pyrazol-5-yl)aniline;N-methyl-3-pyridin-4-ylaniline;bis(N-methyl-3-(1,3-thiazol-4-yl)aniline);N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline.

What is the SMILES notation for N,3-dimethyl-5-(1-methyltetrazol-5-yl)aniline;methane;3-(methylamino)benzonitrile;N-methyl-3-(methylamino)benzamide;N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine;N-methyl-3-(1H-pyrazol-5-yl)aniline;N-methyl-3-pyridin-4-ylaniline;bis(N-methyl-3-(1,3-thiazol-4-yl)aniline);N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline?

The canonical SMILES for N,3-dimethyl-5-(1-methyltetrazol-5-yl)aniline;methane;3-(methylamino)benzonitrile;N-methyl-3-(methylamino)benzamide;N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine;N-methyl-3-(1H-pyrazol-5-yl)aniline;N-methyl-3-pyridin-4-ylaniline;bis(N-methyl-3-(1,3-thiazol-4-yl)aniline);N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline is C.CNC(=O)c1cccc(NC)c1.CNc1cc(C)cc(-c2nnnn2C)c1.CNc1cccc(-c2ccn[nH]2)c1.CNc1cccc(-c2ccncc2)c1.CNc1cccc(-c2cscn2)c1.CNc1cccc(-c2cscn2)c1.CNc1cccc(-c2noc(NC)n2)c1.CNc1cccc(C#N)c1.CNc1cccc(C2N=CN=N2)c1.

What is the InChIKey of N,3-dimethyl-5-(1-methyltetrazol-5-yl)aniline;methane;3-(methylamino)benzonitrile;N-methyl-3-(methylamino)benzamide;N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine;N-methyl-3-(1H-pyrazol-5-yl)aniline;N-methyl-3-pyridin-4-ylaniline;bis(N-methyl-3-(1,3-thiazol-4-yl)aniline);N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline?

The InChIKey is LOYYZVDOAJLIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2.C10H13N5.C10H12N4O.C10H11N3.2C10H10N2S.C9H10N4.C9H12N2O.C8H8N2.CH4/c1-13-12-4-2-3-11(9-12)10-5-7-14-8-6-10;1-7-4-8(6-9(5-7)11-2)10-12-13-14-15(10)3;1-11-8-5-3-4-7(6-8)9-13-10(12-2)15-14-9;1-11-9-4-2-3-8(7-9)10-5-6-12-13-10;2*1-11-9-4-2-3-8(5-9)10-6-13-7-12-10;1-10-8-4-2-3-7(5-8)9-11-6-12-13-9;1-10-8-5-3-4-7(6-8)9(12)11-2;1-10-8-4-2-3-7(5-8)6-9;/h2-9,13H,1H3;4-6,11H,1-3H3;3-6,11H,1-2H3,(H,12,13,14);2-7,11H,1H3,(H,12,13);2*2-7,11H,1H3;2-6,9-10H,1H3;3-6,10H,1-2H3,(H,11,12);2-5,10H,1H3;1H4.

What are the key properties of N,3-dimethyl-5-(1-methyltetrazol-5-yl)aniline;methane;3-(methylamino)benzonitrile;N-methyl-3-(methylamino)benzamide;N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine;N-methyl-3-(1H-pyrazol-5-yl)aniline;N-methyl-3-pyridin-4-ylaniline;bis(N-methyl-3-(1,3-thiazol-4-yl)aniline);N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline?

Where does this data come from?

All data for N,3-dimethyl-5-(1-methyltetrazol-5-yl)aniline;methane;3-(methylamino)benzonitrile;N-methyl-3-(methylamino)benzamide;N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine;N-methyl-3-(1H-pyrazol-5-yl)aniline;N-methyl-3-pyridin-4-ylaniline;bis(N-methyl-3-(1,3-thiazol-4-yl)aniline);N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline is sourced from PubChem (CID 159414352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).