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

C6H11N5 — CID 114619395

IUPAC3-N-(2-methylprop-2-enyl)-1H-1,2,4-triazole-3,5-diamine
SMILESC=C(C)CNc1n[nH]c(N)n1
InChIInChI=1S/C6H11N5/c1-4(2)3-8-6-9-5(7)10-11-6/h1,3H2,2H3,(H4,7,8,9,10,11)
InChIKeyQAEKRTIFZXEIHU-UHFFFAOYSA-N
MW153.19 g/mol
LogP0.37
Rot. Bonds3

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

3-N-(2-methylprop-2-enyl)-1H-1,2,4-triazole-3,5-diamine (PubChem CID 114619395) has the molecular formula C6H11N5 and a molecular weight of 153.19 g/mol. Its IUPAC name is 3-N-(2-methylprop-2-enyl)-1H-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N-(2-methylprop-2-enyl)-1H-1,2,4-triazole-3,5-diamine
PubChem CID114619395
Molecular FormulaC6H11N5
Molecular Weight153.19 g/mol
Exact Mass153.10
IUPAC Name3-N-(2-methylprop-2-enyl)-1H-1,2,4-triazole-3,5-diamine
SMILESC=C(C)CNc1n[nH]c(N)n1
InChIInChI=1S/C6H11N5/c1-4(2)3-8-6-9-5(7)10-11-6/h1,3H2,2H3,(H4,7,8,9,10,11)
InChIKeyQAEKRTIFZXEIHU-UHFFFAOYSA-N
XLogP0.37
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-N-(2-methylprop-2-enyl)-1H-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N-(2-methylprop-2-enyl)-1H-1,2,4-triazole-3,5-diamine (CID 114619395) is 3-N-(2-methylprop-2-enyl)-1H-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N-(2-methylprop-2-enyl)-1H-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N-(2-methylprop-2-enyl)-1H-1,2,4-triazole-3,5-diamine is C=C(C)CNc1n[nH]c(N)n1.
What is the InChIKey of 3-N-(2-methylprop-2-enyl)-1H-1,2,4-triazole-3,5-diamine?
The InChIKey is QAEKRTIFZXEIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5/c1-4(2)3-8-6-9-5(7)10-11-6/h1,3H2,2H3,(H4,7,8,9,10,11).
What are the key properties of 3-N-(2-methylprop-2-enyl)-1H-1,2,4-triazole-3,5-diamine?
3-N-(2-methylprop-2-enyl)-1H-1,2,4-triazole-3,5-diamine has a molecular weight of 153.19 g/mol, XLogP of 0.37, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-methylprop-2-enyl)-1H-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 114619395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).