5-[3-(methylamino)propyl]-1H-1,2,4-triazol-3-amine

C6H13N5 — CID 61320355

IUPAC5-[3-(methylamino)propyl]-1H-1,2,4-triazol-3-amine
SMILESCNCCCc1nc(N)n[nH]1
InChIInChI=1S/C6H13N5/c1-8-4-2-3-5-9-6(7)11-10-5/h8H,2-4H2,1H3,(H3,7,9,10,11)
InChIKeyPNCQDAKOACNSHZ-UHFFFAOYSA-N
MW155.21 g/mol
LogP-0.46
Rot. Bonds4

About 5-[3-(methylamino)propyl]-1H-1,2,4-triazol-3-amine

5-[3-(methylamino)propyl]-1H-1,2,4-triazol-3-amine (PubChem CID 61320355) has the molecular formula C6H13N5 and a molecular weight of 155.21 g/mol. Its IUPAC name is 5-[3-(methylamino)propyl]-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[3-(methylamino)propyl]-1H-1,2,4-triazol-3-amine
PubChem CID61320355
Molecular FormulaC6H13N5
Molecular Weight155.21 g/mol
Exact Mass155.12
IUPAC Name5-[3-(methylamino)propyl]-1H-1,2,4-triazol-3-amine
SMILESCNCCCc1nc(N)n[nH]1
InChIInChI=1S/C6H13N5/c1-8-4-2-3-5-9-6(7)11-10-5/h8H,2-4H2,1H3,(H3,7,9,10,11)
InChIKeyPNCQDAKOACNSHZ-UHFFFAOYSA-N
XLogP-0.46
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.21
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(methylamino)propyl]-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-[3-(methylamino)propyl]-1H-1,2,4-triazol-3-amine (CID 61320355) is 5-[3-(methylamino)propyl]-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[3-(methylamino)propyl]-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[3-(methylamino)propyl]-1H-1,2,4-triazol-3-amine is CNCCCc1nc(N)n[nH]1.
What is the InChIKey of 5-[3-(methylamino)propyl]-1H-1,2,4-triazol-3-amine?
The InChIKey is PNCQDAKOACNSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N5/c1-8-4-2-3-5-9-6(7)11-10-5/h8H,2-4H2,1H3,(H3,7,9,10,11).
What are the key properties of 5-[3-(methylamino)propyl]-1H-1,2,4-triazol-3-amine?
5-[3-(methylamino)propyl]-1H-1,2,4-triazol-3-amine has a molecular weight of 155.21 g/mol, XLogP of -0.46, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(methylamino)propyl]-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 61320355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).