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

C9H16N4O — CID 114419711

IUPAC2-[4-(1-aminoethyl)triazol-1-yl]cyclopentan-1-ol
SMILESCC(N)c1cn(C2CCCC2O)nn1
InChIInChI=1S/C9H16N4O/c1-6(10)7-5-13(12-11-7)8-3-2-4-9(8)14/h5-6,8-9,14H,2-4,10H2,1H3
InChIKeyPKIBWLJEDISWJJ-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.38
Rot. Bonds2

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

2-[4-(1-aminoethyl)triazol-1-yl]cyclopentan-1-ol (PubChem CID 114419711) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-[4-(1-aminoethyl)triazol-1-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[4-(1-aminoethyl)triazol-1-yl]cyclopentan-1-ol
PubChem CID114419711
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name2-[4-(1-aminoethyl)triazol-1-yl]cyclopentan-1-ol
SMILESCC(N)c1cn(C2CCCC2O)nn1
InChIInChI=1S/C9H16N4O/c1-6(10)7-5-13(12-11-7)8-3-2-4-9(8)14/h5-6,8-9,14H,2-4,10H2,1H3
InChIKeyPKIBWLJEDISWJJ-UHFFFAOYSA-N
XLogP0.38
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminoethyl)triazol-1-yl]cyclopentan-1-ol?
The IUPAC name of 2-[4-(1-aminoethyl)triazol-1-yl]cyclopentan-1-ol (CID 114419711) is 2-[4-(1-aminoethyl)triazol-1-yl]cyclopentan-1-ol.
What is the SMILES notation for 2-[4-(1-aminoethyl)triazol-1-yl]cyclopentan-1-ol?
The canonical SMILES for 2-[4-(1-aminoethyl)triazol-1-yl]cyclopentan-1-ol is CC(N)c1cn(C2CCCC2O)nn1.
What is the InChIKey of 2-[4-(1-aminoethyl)triazol-1-yl]cyclopentan-1-ol?
The InChIKey is PKIBWLJEDISWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-6(10)7-5-13(12-11-7)8-3-2-4-9(8)14/h5-6,8-9,14H,2-4,10H2,1H3.
What are the key properties of 2-[4-(1-aminoethyl)triazol-1-yl]cyclopentan-1-ol?
2-[4-(1-aminoethyl)triazol-1-yl]cyclopentan-1-ol has a molecular weight of 196.25 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-aminoethyl)triazol-1-yl]cyclopentan-1-ol is sourced from PubChem (CID 114419711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).