N-[(1-methylimidazol-2-yl)methyl]-3-(1-methyltetrazol-5-yl)aniline

C13H15N7 — CID 62357094

IUPACN-[(1-methylimidazol-2-yl)methyl]-3-(1-methyltetrazol-5-yl)aniline
SMILESCn1ccnc1CNc1cccc(-c2nnnn2C)c1
InChIInChI=1S/C13H15N7/c1-19-7-6-14-12(19)9-15-11-5-3-4-10(8-11)13-16-17-18-20(13)2/h3-8,15H,9H2,1-2H3
InChIKeyXZHTZNYCLYZYRV-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.22
Rot. Bonds4

About N-[(1-methylimidazol-2-yl)methyl]-3-(1-methyltetrazol-5-yl)aniline

N-[(1-methylimidazol-2-yl)methyl]-3-(1-methyltetrazol-5-yl)aniline (PubChem CID 62357094) has the molecular formula C13H15N7 and a molecular weight of 269.31 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-3-(1-methyltetrazol-5-yl)aniline.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-3-(1-methyltetrazol-5-yl)aniline
PubChem CID62357094
Molecular FormulaC13H15N7
Molecular Weight269.31 g/mol
Exact Mass269.14
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-3-(1-methyltetrazol-5-yl)aniline
SMILESCn1ccnc1CNc1cccc(-c2nnnn2C)c1
InChIInChI=1S/C13H15N7/c1-19-7-6-14-12(19)9-15-11-5-3-4-10(8-11)13-16-17-18-20(13)2/h3-8,15H,9H2,1-2H3
InChIKeyXZHTZNYCLYZYRV-UHFFFAOYSA-N
XLogP1.22
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(1-methyltetrazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)aniline
CID 55248719
N-[(1-methylimidazol-2-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline
CID 62350456
N-[(4-methylphenyl)methyl]-3-(1-methyltetrazol-5-yl)aniline
CID 43687122
3-bromo-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43087909
3-[(1-methylimidazol-2-yl)methylamino]phenol
CID 62355871
N-[(1-methylimidazol-2-yl)methyl]-3-(tetrazol-1-yl)aniline
CID 60694837
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(1-methyltetrazol-5-yl)aniline
CID 43687182
N-[(4,5-dibromothiophen-2-yl)methyl]-3-(1-methyltetrazol-5-yl)aniline
CID 102832323
N'-tert-butyl-N-[3-(1-methyltetrazol-5-yl)phenyl]ethane-1,2-diamine
CID 107444969
N-(cyclopropylmethyl)-3-(1-methyltetrazol-5-yl)aniline
CID 43687184
N-[(1-methylimidazol-2-yl)methyl]-3-pyrrol-1-ylaniline
CID 55064678
N-(2-methylpentyl)-3-(1-methyltetrazol-5-yl)aniline
CID 43687104

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-3-(1-methyltetrazol-5-yl)aniline?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-3-(1-methyltetrazol-5-yl)aniline (CID 62357094) is N-[(1-methylimidazol-2-yl)methyl]-3-(1-methyltetrazol-5-yl)aniline.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-3-(1-methyltetrazol-5-yl)aniline?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-3-(1-methyltetrazol-5-yl)aniline is Cn1ccnc1CNc1cccc(-c2nnnn2C)c1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-3-(1-methyltetrazol-5-yl)aniline?
The InChIKey is XZHTZNYCLYZYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7/c1-19-7-6-14-12(19)9-15-11-5-3-4-10(8-11)13-16-17-18-20(13)2/h3-8,15H,9H2,1-2H3.
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-3-(1-methyltetrazol-5-yl)aniline?
N-[(1-methylimidazol-2-yl)methyl]-3-(1-methyltetrazol-5-yl)aniline has a molecular weight of 269.31 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]-3-(1-methyltetrazol-5-yl)aniline is sourced from PubChem (CID 62357094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).