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

C8H13N7 — CID 62447374

IUPACN-methyl-1-[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methanamine
SMILESCNCc1cn(CCn2cncn2)nn1
InChIInChI=1S/C8H13N7/c1-9-4-8-5-14(13-12-8)2-3-15-7-10-6-11-15/h5-7,9H,2-4H2,1H3
InChIKeyLDMPIABEMUGHIQ-UHFFFAOYSA-N
MW207.24 g/mol
LogP-0.71
Rot. Bonds5

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

N-methyl-1-[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methanamine (PubChem CID 62447374) has the molecular formula C8H13N7 and a molecular weight of 207.24 g/mol. Its IUPAC name is N-methyl-1-[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methanamine
PubChem CID62447374
Molecular FormulaC8H13N7
Molecular Weight207.24 g/mol
Exact Mass207.12
IUPAC NameN-methyl-1-[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methanamine
SMILESCNCc1cn(CCn2cncn2)nn1
InChIInChI=1S/C8H13N7/c1-9-4-8-5-14(13-12-8)2-3-15-7-10-6-11-15/h5-7,9H,2-4H2,1H3
InChIKeyLDMPIABEMUGHIQ-UHFFFAOYSA-N
XLogP-0.71
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-methylpropyl)-N-[(3-methyltriazol-4-yl)methyl]imidazol-2-amine
CID 132375692
1-(Imidazol-5-ylmethyl)-1h-1,2,3-tri-azole
CID 129759567
1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]-N-methylmethanamine
CID 66191725
N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methyl]ethanamine
CID 66192538
1-[(1-Methylimidazol-4-yl)methyl]tetrazole
CID 19771037
1-[(3-Methylimidazol-4-yl)methyl]tetrazole
CID 19771042
5-Ethyl-1-[(3-methylimidazol-4-yl)methyl]tetrazole
CID 19771043
5-[(4-methyltriazol-1-yl)methyl]-1H-imidazol-2-amine
CID 57914419
N-methyl-1-[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]methanamine
CID 66449763
N-[[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]methyl]propan-2-amine
CID 66449959
N-methyl-1-[5-(tetrazol-1-yl)pyrazin-2-yl]methanamine
CID 123645480
2-[4-(Tetrazol-1-ylmethyl)triazol-1-yl]ethanamine
CID 141530368

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methanamine (CID 62447374) is N-methyl-1-[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methanamine is CNCc1cn(CCn2cncn2)nn1.
What is the InChIKey of N-methyl-1-[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methanamine?
The InChIKey is LDMPIABEMUGHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N7/c1-9-4-8-5-14(13-12-8)2-3-15-7-10-6-11-15/h5-7,9H,2-4H2,1H3.
What are the key properties of N-methyl-1-[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methanamine?
N-methyl-1-[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methanamine has a molecular weight of 207.24 g/mol, XLogP of -0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methanamine is sourced from PubChem (CID 62447374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).