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

C13H25N5O — CID 167413238

IUPAC2-[4-[4-(methylaminomethyl)triazol-1-yl]butylamino]cyclopentan-1-ol
SMILESCNCc1cn(CCCCNC2CCCC2O)nn1
InChIInChI=1S/C13H25N5O/c1-14-9-11-10-18(17-16-11)8-3-2-7-15-12-5-4-6-13(12)19/h10,12-15,19H,2-9H2,1H3
InChIKeyYVYLFXTVJXXGOV-UHFFFAOYSA-N
MW267.38 g/mol
LogP0.28
Rot. Bonds8

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

2-[4-[4-(methylaminomethyl)triazol-1-yl]butylamino]cyclopentan-1-ol (PubChem CID 167413238) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-[4-[4-(methylaminomethyl)triazol-1-yl]butylamino]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[4-[4-(methylaminomethyl)triazol-1-yl]butylamino]cyclopentan-1-ol
PubChem CID167413238
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name2-[4-[4-(methylaminomethyl)triazol-1-yl]butylamino]cyclopentan-1-ol
SMILESCNCc1cn(CCCCNC2CCCC2O)nn1
InChIInChI=1S/C13H25N5O/c1-14-9-11-10-18(17-16-11)8-3-2-7-15-12-5-4-6-13(12)19/h10,12-15,19H,2-9H2,1H3
InChIKeyYVYLFXTVJXXGOV-UHFFFAOYSA-N
XLogP0.28
TPSA75.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 2-[4-[4-(methylaminomethyl)triazol-1-yl]butylamino]cyclopentan-1-ol?
The IUPAC name of 2-[4-[4-(methylaminomethyl)triazol-1-yl]butylamino]cyclopentan-1-ol (CID 167413238) is 2-[4-[4-(methylaminomethyl)triazol-1-yl]butylamino]cyclopentan-1-ol.
What is the SMILES notation for 2-[4-[4-(methylaminomethyl)triazol-1-yl]butylamino]cyclopentan-1-ol?
The canonical SMILES for 2-[4-[4-(methylaminomethyl)triazol-1-yl]butylamino]cyclopentan-1-ol is CNCc1cn(CCCCNC2CCCC2O)nn1.
What is the InChIKey of 2-[4-[4-(methylaminomethyl)triazol-1-yl]butylamino]cyclopentan-1-ol?
The InChIKey is YVYLFXTVJXXGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-14-9-11-10-18(17-16-11)8-3-2-7-15-12-5-4-6-13(12)19/h10,12-15,19H,2-9H2,1H3.
What are the key properties of 2-[4-[4-(methylaminomethyl)triazol-1-yl]butylamino]cyclopentan-1-ol?
2-[4-[4-(methylaminomethyl)triazol-1-yl]butylamino]cyclopentan-1-ol has a molecular weight of 267.38 g/mol, XLogP of 0.28, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(methylaminomethyl)triazol-1-yl]butylamino]cyclopentan-1-ol is sourced from PubChem (CID 167413238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).