3-N-(2-methylpropyl)-1H-1,2,4-triazole-3,5-diamine

C6H13N5 — CID 59665154

IUPAC3-N-(2-methylpropyl)-1H-1,2,4-triazole-3,5-diamine
SMILESCC(C)CNc1n[nH]c(N)n1
InChIInChI=1S/C6H13N5/c1-4(2)3-8-6-9-5(7)10-11-6/h4H,3H2,1-2H3,(H4,7,8,9,10,11)
InChIKeyRUNCXKVNYAEWRT-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.45
Rot. Bonds3

About 3-N-(2-methylpropyl)-1H-1,2,4-triazole-3,5-diamine

3-N-(2-methylpropyl)-1H-1,2,4-triazole-3,5-diamine (PubChem CID 59665154) has the molecular formula C6H13N5 and a molecular weight of 155.20 g/mol. Its IUPAC name is 3-N-(2-methylpropyl)-1H-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N-(2-methylpropyl)-1H-1,2,4-triazole-3,5-diamine
PubChem CID59665154
Molecular FormulaC6H13N5
Molecular Weight155.20 g/mol
Exact Mass155.12
IUPAC Name3-N-(2-methylpropyl)-1H-1,2,4-triazole-3,5-diamine
SMILESCC(C)CNc1n[nH]c(N)n1
InChIInChI=1S/C6H13N5/c1-4(2)3-8-6-9-5(7)10-11-6/h4H,3H2,1-2H3,(H4,7,8,9,10,11)
InChIKeyRUNCXKVNYAEWRT-UHFFFAOYSA-N
XLogP0.45
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-(2-methylpropyl)-1H-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N-(2-methylpropyl)-1H-1,2,4-triazole-3,5-diamine (CID 59665154) is 3-N-(2-methylpropyl)-1H-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N-(2-methylpropyl)-1H-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N-(2-methylpropyl)-1H-1,2,4-triazole-3,5-diamine is CC(C)CNc1n[nH]c(N)n1.
What is the InChIKey of 3-N-(2-methylpropyl)-1H-1,2,4-triazole-3,5-diamine?
The InChIKey is RUNCXKVNYAEWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N5/c1-4(2)3-8-6-9-5(7)10-11-6/h4H,3H2,1-2H3,(H4,7,8,9,10,11).
What are the key properties of 3-N-(2-methylpropyl)-1H-1,2,4-triazole-3,5-diamine?
3-N-(2-methylpropyl)-1H-1,2,4-triazole-3,5-diamine has a molecular weight of 155.20 g/mol, XLogP of 0.45, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-methylpropyl)-1H-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 59665154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).