1-(1-ethylindazol-3-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine

C14H18N6 — CID 104879569

IUPAC1-(1-ethylindazol-3-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCCn1nc(CNCc2ncn(C)n2)c2ccccc21
InChIInChI=1S/C14H18N6/c1-3-20-13-7-5-4-6-11(13)12(17-20)8-15-9-14-16-10-19(2)18-14/h4-7,10,15H,3,8-9H2,1-2H3
InChIKeyOBNYPRHEZOAGCD-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.47
Rot. Bonds5

About 1-(1-ethylindazol-3-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine

1-(1-ethylindazol-3-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine (PubChem CID 104879569) has the molecular formula C14H18N6 and a molecular weight of 270.34 g/mol. Its IUPAC name is 1-(1-ethylindazol-3-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-ethylindazol-3-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
PubChem CID104879569
Molecular FormulaC14H18N6
Molecular Weight270.34 g/mol
Exact Mass270.16
IUPAC Name1-(1-ethylindazol-3-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCCn1nc(CNCc2ncn(C)n2)c2ccccc21
InChIInChI=1S/C14H18N6/c1-3-20-13-7-5-4-6-11(13)12(17-20)8-15-9-14-16-10-19(2)18-14/h4-7,10,15H,3,8-9H2,1-2H3
InChIKeyOBNYPRHEZOAGCD-UHFFFAOYSA-N
XLogP1.47
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-ethylindazol-3-yl)methyl]-1-(4-methyl-3-pyridinyl)methanamine
CID 114955473
1-(5-bromothiophen-3-yl)-N-[(1-ethylindazol-3-yl)methyl]methanamine
CID 167798955
N-[(1-ethylindazol-3-yl)methyl]-5-methoxypentan-1-amine
CID 104878924
N-[3-[(1-ethylindazol-3-yl)methylamino]propyl]methanesulfonamide
CID 104878529
2-chloro-N-[(1-ethylindazol-3-yl)methyl]-4,4-dimethylpentan-1-amine
CID 107155595
N-[(1-ethylindazol-3-yl)methyl]-4-propan-2-yloxybutan-1-amine
CID 104879613
5-[(1-ethylindazol-3-yl)methylamino]-2-methylpentan-1-ol
CID 104879529
4-[[(1-ethylindazol-3-yl)methylamino]methyl]oxan-4-ol
CID 81135201
2-[[(1-methyl-1,2,4-triazol-3-yl)methylamino]methyl]phenol
CID 103884596
4-chloro-N-[(1-ethylindazol-3-yl)methyl]pentan-2-amine
CID 113376674
(1S)-1-cyclopentyl-N-[(1-ethylindazol-3-yl)methyl]ethanamine
CID 81395194
N-[(1-ethylindazol-3-yl)methyl]pyrazine-2-carboxamide
CID 53163992

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylindazol-3-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The IUPAC name of 1-(1-ethylindazol-3-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine (CID 104879569) is 1-(1-ethylindazol-3-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(1-ethylindazol-3-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(1-ethylindazol-3-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine is CCn1nc(CNCc2ncn(C)n2)c2ccccc21.
What is the InChIKey of 1-(1-ethylindazol-3-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The InChIKey is OBNYPRHEZOAGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6/c1-3-20-13-7-5-4-6-11(13)12(17-20)8-15-9-14-16-10-19(2)18-14/h4-7,10,15H,3,8-9H2,1-2H3.
What are the key properties of 1-(1-ethylindazol-3-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
1-(1-ethylindazol-3-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine has a molecular weight of 270.34 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylindazol-3-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine is sourced from PubChem (CID 104879569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).