1-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine

C12H14N8 — CID 62627608

IUPAC1-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
SMILESCn1cnnc1CNCc1nnnn1-c1ccccc1
InChIInChI=1S/C12H14N8/c1-19-9-14-15-11(19)7-13-8-12-16-17-18-20(12)10-5-3-2-4-6-10/h2-6,9,13H,7-8H2,1H3
InChIKeySQOKXTHGTJFXFG-UHFFFAOYSA-N
MW270.30 g/mol
LogP0.08
Rot. Bonds5

About 1-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine

1-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine (PubChem CID 62627608) has the molecular formula C12H14N8 and a molecular weight of 270.30 g/mol. Its IUPAC name is 1-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
PubChem CID62627608
Molecular FormulaC12H14N8
Molecular Weight270.30 g/mol
Exact Mass270.13
IUPAC Name1-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
SMILESCn1cnnc1CNCc1nnnn1-c1ccccc1
InChIInChI=1S/C12H14N8/c1-19-9-14-15-11(19)7-13-8-12-16-17-18-20(12)10-5-3-2-4-6-10/h2-6,9,13H,7-8H2,1H3
InChIKeySQOKXTHGTJFXFG-UHFFFAOYSA-N
XLogP0.08
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 3031920
1-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 62627609
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine;hydrochloride
CID 3031919
2-[[(1-phenyltetrazol-5-yl)methylamino]methyl]phenol
CID 115603162
2-methyl-N-[(1-phenyltetrazol-5-yl)methyl]butan-1-amine
CID 55108359
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1-phenyltetrazol-5-yl)methanamine
CID 106372826
1-(4-methylcyclohexyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
CID 63243666
1-(3-chlorophenyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
CID 60671794
N-ethoxy-1-(1-phenyltetrazol-5-yl)methanamine
CID 60702902
1-phenyl-5-[(1-phenyltetrazol-5-yl)methyl]tetrazole
CID 3090521
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(3-phenylphenyl)methanamine
CID 47059707
5-[(1-phenyltetrazol-5-yl)methylamino]pentan-1-ol
CID 107317393

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine?
The IUPAC name of 1-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine (CID 62627608) is 1-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine is Cn1cnnc1CNCc1nnnn1-c1ccccc1.
What is the InChIKey of 1-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine?
The InChIKey is SQOKXTHGTJFXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N8/c1-19-9-14-15-11(19)7-13-8-12-16-17-18-20(12)10-5-3-2-4-6-10/h2-6,9,13H,7-8H2,1H3.
What are the key properties of 1-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine?
1-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine has a molecular weight of 270.30 g/mol, XLogP of 0.08, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine is sourced from PubChem (CID 62627608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).