N'-(1H-1,2,4-triazol-5-yl)propane-1,3-diamine

C5H11N5 — CID 20557813

IUPACN'-(1H-1,2,4-triazol-5-yl)propane-1,3-diamine
SMILESNCCCNc1ncn[nH]1
InChIInChI=1S/C5H11N5/c6-2-1-3-7-5-8-4-9-10-5/h4H,1-3,6H2,(H2,7,8,9,10)
InChIKeyMYXXJGYIBXKVCR-UHFFFAOYSA-N
MW141.18 g/mol
LogP-0.43
Rot. Bonds4

About N'-(1H-1,2,4-triazol-5-yl)propane-1,3-diamine

N'-(1H-1,2,4-triazol-5-yl)propane-1,3-diamine (PubChem CID 20557813) has the molecular formula C5H11N5 and a molecular weight of 141.18 g/mol. Its IUPAC name is N'-(1H-1,2,4-triazol-5-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(1H-1,2,4-triazol-5-yl)propane-1,3-diamine
PubChem CID20557813
Molecular FormulaC5H11N5
Molecular Weight141.18 g/mol
Exact Mass141.10
IUPAC NameN'-(1H-1,2,4-triazol-5-yl)propane-1,3-diamine
SMILESNCCCNc1ncn[nH]1
InChIInChI=1S/C5H11N5/c6-2-1-3-7-5-8-4-9-10-5/h4H,1-3,6H2,(H2,7,8,9,10)
InChIKeyMYXXJGYIBXKVCR-UHFFFAOYSA-N
XLogP-0.43
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.18
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-(1H-1,2,4-triazol-5-yl)propane-1,3-diamine 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'-(1H-1,2,4-triazol-5-yl)propane-1,3-diamine?
The IUPAC name of N'-(1H-1,2,4-triazol-5-yl)propane-1,3-diamine (CID 20557813) is N'-(1H-1,2,4-triazol-5-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(1H-1,2,4-triazol-5-yl)propane-1,3-diamine?
The canonical SMILES for N'-(1H-1,2,4-triazol-5-yl)propane-1,3-diamine is NCCCNc1ncn[nH]1.
What is the InChIKey of N'-(1H-1,2,4-triazol-5-yl)propane-1,3-diamine?
The InChIKey is MYXXJGYIBXKVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N5/c6-2-1-3-7-5-8-4-9-10-5/h4H,1-3,6H2,(H2,7,8,9,10).
What are the key properties of N'-(1H-1,2,4-triazol-5-yl)propane-1,3-diamine?
N'-(1H-1,2,4-triazol-5-yl)propane-1,3-diamine has a molecular weight of 141.18 g/mol, XLogP of -0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1H-1,2,4-triazol-5-yl)propane-1,3-diamine is sourced from PubChem (CID 20557813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).