1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]triazol-4-amine

C9H15N7 — CID 79531409

IUPAC1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]triazol-4-amine
SMILESCC(C)Cn1ncnc1Cn1cc(N)nn1
InChIInChI=1S/C9H15N7/c1-7(2)3-16-9(11-6-12-16)5-15-4-8(10)13-14-15/h4,6-7H,3,5,10H2,1-2H3
InChIKeyMHCHKOXBHZEURF-UHFFFAOYSA-N
MW221.27 g/mol
LogP0.16
Rot. Bonds4

About 1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]triazol-4-amine

1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]triazol-4-amine (PubChem CID 79531409) has the molecular formula C9H15N7 and a molecular weight of 221.27 g/mol. Its IUPAC name is 1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]triazol-4-amine.

Molecular Properties

Compound Name1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]triazol-4-amine
PubChem CID79531409
Molecular FormulaC9H15N7
Molecular Weight221.27 g/mol
Exact Mass221.14
IUPAC Name1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]triazol-4-amine
SMILESCC(C)Cn1ncnc1Cn1cc(N)nn1
InChIInChI=1S/C9H15N7/c1-7(2)3-16-9(11-6-12-16)5-15-4-8(10)13-14-15/h4,6-7H,3,5,10H2,1-2H3
InChIKeyMHCHKOXBHZEURF-UHFFFAOYSA-N
XLogP0.16
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]triazol-4-amine?
The IUPAC name of 1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]triazol-4-amine (CID 79531409) is 1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]triazol-4-amine.
What is the SMILES notation for 1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]triazol-4-amine?
The canonical SMILES for 1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]triazol-4-amine is CC(C)Cn1ncnc1Cn1cc(N)nn1.
What is the InChIKey of 1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]triazol-4-amine?
The InChIKey is MHCHKOXBHZEURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N7/c1-7(2)3-16-9(11-6-12-16)5-15-4-8(10)13-14-15/h4,6-7H,3,5,10H2,1-2H3.
What are the key properties of 1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]triazol-4-amine?
1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]triazol-4-amine has a molecular weight of 221.27 g/mol, XLogP of 0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]triazol-4-amine is sourced from PubChem (CID 79531409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).