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

C11H19N7 — CID 55073507

IUPAC2-methyl-N-[[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1cn(CCn2cncn2)nn1
InChIInChI=1S/C11H19N7/c1-10(2)5-12-6-11-7-17(16-15-11)3-4-18-9-13-8-14-18/h7-10,12H,3-6H2,1-2H3
InChIKeyZQWVAEQCWAZQJN-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.32
Rot. Bonds7

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

2-methyl-N-[[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methyl]propan-1-amine (PubChem CID 55073507) has the molecular formula C11H19N7 and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-methyl-N-[[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methyl]propan-1-amine
PubChem CID55073507
Molecular FormulaC11H19N7
Molecular Weight249.32 g/mol
Exact Mass249.17
IUPAC Name2-methyl-N-[[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1cn(CCn2cncn2)nn1
InChIInChI=1S/C11H19N7/c1-10(2)5-12-6-11-7-17(16-15-11)3-4-18-9-13-8-14-18/h7-10,12H,3-6H2,1-2H3
InChIKeyZQWVAEQCWAZQJN-UHFFFAOYSA-N
XLogP0.32
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-propyl-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]pyrazol-4-amine
CID 75446845
1-(2-methylpropyl)-N-[(3-methyltriazol-4-yl)methyl]imidazol-2-amine
CID 132375692
N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66193635
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
2-[4-(Tetrazol-1-ylmethyl)triazol-1-yl]ethanamine
CID 141530368
N-methyl-1-[[1-(2-methyliodanuidylethyl)triazol-4-yl]methyl]imidazol-2-amine
CID 145491155
1-(1H-imidazol-5-ylmethyl)-4-methyltriazole
CID 156412874
1-[(2-Methyltriazol-4-yl)methyl]-4-(1,2,4-triazol-1-ylmethyl)triazole
CID 166846758
1-Propan-2-yl-4-(1,2,4-triazol-1-ylmethyl)triazole
CID 168909727
1-[4-(1,2,4-Triazol-1-ylmethyl)triazol-1-yl]ethanamine
CID 170026346

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methyl]propan-1-amine (CID 55073507) is 2-methyl-N-[[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methyl]propan-1-amine is CC(C)CNCc1cn(CCn2cncn2)nn1.
What is the InChIKey of 2-methyl-N-[[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methyl]propan-1-amine?
The InChIKey is ZQWVAEQCWAZQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N7/c1-10(2)5-12-6-11-7-17(16-15-11)3-4-18-9-13-8-14-18/h7-10,12H,3-6H2,1-2H3.
What are the key properties of 2-methyl-N-[[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methyl]propan-1-amine?
2-methyl-N-[[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methyl]propan-1-amine has a molecular weight of 249.32 g/mol, XLogP of 0.32, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 55073507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).