N-(propan-2-ylideneamino)-1H-1,2,4-triazol-5-amine

C5H9N5 — CID 55287575

IUPACN-(propan-2-ylideneamino)-1H-1,2,4-triazol-5-amine
SMILESCC(C)=NNc1ncn[nH]1
InChIInChI=1S/C5H9N5/c1-4(2)8-10-5-6-3-7-9-5/h3H,1-2H3,(H2,6,7,9,10)
InChIKeyQNUQTKDEIVNKEJ-UHFFFAOYSA-N
MW139.16 g/mol
LogP0.61
Rot. Bonds2

About N-(propan-2-ylideneamino)-1H-1,2,4-triazol-5-amine

N-(propan-2-ylideneamino)-1H-1,2,4-triazol-5-amine (PubChem CID 55287575) has the molecular formula C5H9N5 and a molecular weight of 139.16 g/mol. Its IUPAC name is N-(propan-2-ylideneamino)-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound NameN-(propan-2-ylideneamino)-1H-1,2,4-triazol-5-amine
PubChem CID55287575
Molecular FormulaC5H9N5
Molecular Weight139.16 g/mol
Exact Mass139.09
IUPAC NameN-(propan-2-ylideneamino)-1H-1,2,4-triazol-5-amine
SMILESCC(C)=NNc1ncn[nH]1
InChIInChI=1S/C5H9N5/c1-4(2)8-10-5-6-3-7-9-5/h3H,1-2H3,(H2,6,7,9,10)
InChIKeyQNUQTKDEIVNKEJ-UHFFFAOYSA-N
XLogP0.61
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(propan-2-ylideneamino)-1H-1,2,4-triazol-5-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 N-(propan-2-ylideneamino)-1H-1,2,4-triazol-5-amine?
The IUPAC name of N-(propan-2-ylideneamino)-1H-1,2,4-triazol-5-amine (CID 55287575) is N-(propan-2-ylideneamino)-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for N-(propan-2-ylideneamino)-1H-1,2,4-triazol-5-amine?
The canonical SMILES for N-(propan-2-ylideneamino)-1H-1,2,4-triazol-5-amine is CC(C)=NNc1ncn[nH]1.
What is the InChIKey of N-(propan-2-ylideneamino)-1H-1,2,4-triazol-5-amine?
The InChIKey is QNUQTKDEIVNKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5/c1-4(2)8-10-5-6-3-7-9-5/h3H,1-2H3,(H2,6,7,9,10).
What are the key properties of N-(propan-2-ylideneamino)-1H-1,2,4-triazol-5-amine?
N-(propan-2-ylideneamino)-1H-1,2,4-triazol-5-amine has a molecular weight of 139.16 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(propan-2-ylideneamino)-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 55287575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).