4-cyclopropyl-3-(1,5-diaminopentyl)-1H-1,2,4-triazol-5-one

C10H19N5O — CID 102655210

IUPAC4-cyclopropyl-3-(1,5-diaminopentyl)-1H-1,2,4-triazol-5-one
SMILESNCCCCC(N)c1n[nH]c(=O)n1C1CC1
InChIInChI=1S/C10H19N5O/c11-6-2-1-3-8(12)9-13-14-10(16)15(9)7-4-5-7/h7-8H,1-6,11-12H2,(H,14,16)
InChIKeyBLWKDKMUDJBIQU-UHFFFAOYSA-N
MW225.30 g/mol
LogP0.04
Rot. Bonds6

About 4-cyclopropyl-3-(1,5-diaminopentyl)-1H-1,2,4-triazol-5-one

4-cyclopropyl-3-(1,5-diaminopentyl)-1H-1,2,4-triazol-5-one (PubChem CID 102655210) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is 4-cyclopropyl-3-(1,5-diaminopentyl)-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-cyclopropyl-3-(1,5-diaminopentyl)-1H-1,2,4-triazol-5-one
PubChem CID102655210
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name4-cyclopropyl-3-(1,5-diaminopentyl)-1H-1,2,4-triazol-5-one
SMILESNCCCCC(N)c1n[nH]c(=O)n1C1CC1
InChIInChI=1S/C10H19N5O/c11-6-2-1-3-8(12)9-13-14-10(16)15(9)7-4-5-7/h7-8H,1-6,11-12H2,(H,14,16)
InChIKeyBLWKDKMUDJBIQU-UHFFFAOYSA-N
XLogP0.04
TPSA102.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 4-cyclopropyl-3-(1,5-diaminopentyl)-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-cyclopropyl-3-(1,5-diaminopentyl)-1H-1,2,4-triazol-5-one (CID 102655210) is 4-cyclopropyl-3-(1,5-diaminopentyl)-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-cyclopropyl-3-(1,5-diaminopentyl)-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-cyclopropyl-3-(1,5-diaminopentyl)-1H-1,2,4-triazol-5-one is NCCCCC(N)c1n[nH]c(=O)n1C1CC1.
What is the InChIKey of 4-cyclopropyl-3-(1,5-diaminopentyl)-1H-1,2,4-triazol-5-one?
The InChIKey is BLWKDKMUDJBIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c11-6-2-1-3-8(12)9-13-14-10(16)15(9)7-4-5-7/h7-8H,1-6,11-12H2,(H,14,16).
What are the key properties of 4-cyclopropyl-3-(1,5-diaminopentyl)-1H-1,2,4-triazol-5-one?
4-cyclopropyl-3-(1,5-diaminopentyl)-1H-1,2,4-triazol-5-one has a molecular weight of 225.30 g/mol, XLogP of 0.04, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-3-(1,5-diaminopentyl)-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 102655210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).