2-[4-[4-(aminomethyl)triazol-1-yl]butylamino]cyclopentan-1-ol

C12H23N5O — CID 167455225

IUPAC2-[4-[4-(aminomethyl)triazol-1-yl]butylamino]cyclopentan-1-ol
SMILESNCc1cn(CCCCNC2CCCC2O)nn1
InChIInChI=1S/C12H23N5O/c13-8-10-9-17(16-15-10)7-2-1-6-14-11-4-3-5-12(11)18/h9,11-12,14,18H,1-8,13H2
InChIKeyNBUMPOQMQJFLEW-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.02
Rot. Bonds7

About 2-[4-[4-(aminomethyl)triazol-1-yl]butylamino]cyclopentan-1-ol

2-[4-[4-(aminomethyl)triazol-1-yl]butylamino]cyclopentan-1-ol (PubChem CID 167455225) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-[4-[4-(aminomethyl)triazol-1-yl]butylamino]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[4-[4-(aminomethyl)triazol-1-yl]butylamino]cyclopentan-1-ol
PubChem CID167455225
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name2-[4-[4-(aminomethyl)triazol-1-yl]butylamino]cyclopentan-1-ol
SMILESNCc1cn(CCCCNC2CCCC2O)nn1
InChIInChI=1S/C12H23N5O/c13-8-10-9-17(16-15-10)7-2-1-6-14-11-4-3-5-12(11)18/h9,11-12,14,18H,1-8,13H2
InChIKeyNBUMPOQMQJFLEW-UHFFFAOYSA-N
XLogP0.02
TPSA88.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[4-[4-(aminomethyl)triazol-1-yl]butylamino]cyclopentan-1-ol 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 2-[4-[4-(aminomethyl)triazol-1-yl]butylamino]cyclopentan-1-ol?
The IUPAC name of 2-[4-[4-(aminomethyl)triazol-1-yl]butylamino]cyclopentan-1-ol (CID 167455225) is 2-[4-[4-(aminomethyl)triazol-1-yl]butylamino]cyclopentan-1-ol.
What is the SMILES notation for 2-[4-[4-(aminomethyl)triazol-1-yl]butylamino]cyclopentan-1-ol?
The canonical SMILES for 2-[4-[4-(aminomethyl)triazol-1-yl]butylamino]cyclopentan-1-ol is NCc1cn(CCCCNC2CCCC2O)nn1.
What is the InChIKey of 2-[4-[4-(aminomethyl)triazol-1-yl]butylamino]cyclopentan-1-ol?
The InChIKey is NBUMPOQMQJFLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c13-8-10-9-17(16-15-10)7-2-1-6-14-11-4-3-5-12(11)18/h9,11-12,14,18H,1-8,13H2.
What are the key properties of 2-[4-[4-(aminomethyl)triazol-1-yl]butylamino]cyclopentan-1-ol?
2-[4-[4-(aminomethyl)triazol-1-yl]butylamino]cyclopentan-1-ol has a molecular weight of 253.35 g/mol, XLogP of 0.02, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(aminomethyl)triazol-1-yl]butylamino]cyclopentan-1-ol is sourced from PubChem (CID 167455225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).