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

C10H17N7 — CID 79541936

IUPAC5-methyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]triazol-4-amine
SMILESCc1c(N)nnn1Cc1ncnn1CC(C)C
InChIInChI=1S/C10H17N7/c1-7(2)4-17-9(12-6-13-17)5-16-8(3)10(11)14-15-16/h6-7H,4-5,11H2,1-3H3
InChIKeyOGFDBWWEVMKZNU-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.46
Rot. Bonds4

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

5-methyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]triazol-4-amine (PubChem CID 79541936) has the molecular formula C10H17N7 and a molecular weight of 235.29 g/mol. Its IUPAC name is 5-methyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]triazol-4-amine.

Molecular Properties

Compound Name5-methyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]triazol-4-amine
PubChem CID79541936
Molecular FormulaC10H17N7
Molecular Weight235.29 g/mol
Exact Mass235.15
IUPAC Name5-methyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]triazol-4-amine
SMILESCc1c(N)nnn1Cc1ncnn1CC(C)C
InChIInChI=1S/C10H17N7/c1-7(2)4-17-9(12-6-13-17)5-16-8(3)10(11)14-15-16/h6-7H,4-5,11H2,1-3H3
InChIKeyOGFDBWWEVMKZNU-UHFFFAOYSA-N
XLogP0.46
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]triazol-4-amine?
The IUPAC name of 5-methyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]triazol-4-amine (CID 79541936) is 5-methyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]triazol-4-amine.
What is the SMILES notation for 5-methyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]triazol-4-amine?
The canonical SMILES for 5-methyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]triazol-4-amine is Cc1c(N)nnn1Cc1ncnn1CC(C)C.
What is the InChIKey of 5-methyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]triazol-4-amine?
The InChIKey is OGFDBWWEVMKZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N7/c1-7(2)4-17-9(12-6-13-17)5-16-8(3)10(11)14-15-16/h6-7H,4-5,11H2,1-3H3.
What are the key properties of 5-methyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]triazol-4-amine?
5-methyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]triazol-4-amine has a molecular weight of 235.29 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]triazol-4-amine is sourced from PubChem (CID 79541936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).