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

C9H15N7 — CID 79541935

IUPAC5-methyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]triazol-4-amine
SMILESCc1c(N)nnn1Cc1ncnn1C(C)C
InChIInChI=1S/C9H15N7/c1-6(2)16-8(11-5-12-16)4-15-7(3)9(10)13-14-15/h5-6H,4,10H2,1-3H3
InChIKeyWVUODMMZDLPPTE-UHFFFAOYSA-N
MW221.27 g/mol
LogP0.39
Rot. Bonds3

About 5-methyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]triazol-4-amine

5-methyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]triazol-4-amine (PubChem CID 79541935) has the molecular formula C9H15N7 and a molecular weight of 221.27 g/mol. Its IUPAC name is 5-methyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]triazol-4-amine.

Molecular Properties

Compound Name5-methyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]triazol-4-amine
PubChem CID79541935
Molecular FormulaC9H15N7
Molecular Weight221.27 g/mol
Exact Mass221.14
IUPAC Name5-methyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]triazol-4-amine
SMILESCc1c(N)nnn1Cc1ncnn1C(C)C
InChIInChI=1S/C9H15N7/c1-6(2)16-8(11-5-12-16)4-15-7(3)9(10)13-14-15/h5-6H,4,10H2,1-3H3
InChIKeyWVUODMMZDLPPTE-UHFFFAOYSA-N
XLogP0.39
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-methyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]triazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]triazol-4-amine?
The IUPAC name of 5-methyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]triazol-4-amine (CID 79541935) is 5-methyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]triazol-4-amine.
What is the SMILES notation for 5-methyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]triazol-4-amine?
The canonical SMILES for 5-methyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]triazol-4-amine is Cc1c(N)nnn1Cc1ncnn1C(C)C.
What is the InChIKey of 5-methyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]triazol-4-amine?
The InChIKey is WVUODMMZDLPPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N7/c1-6(2)16-8(11-5-12-16)4-15-7(3)9(10)13-14-15/h5-6H,4,10H2,1-3H3.
What are the key properties of 5-methyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]triazol-4-amine?
5-methyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]triazol-4-amine has a molecular weight of 221.27 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]triazol-4-amine is sourced from PubChem (CID 79541935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).