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

C8H14N4O — CID 62054284

IUPAC2-[4-(aminomethyl)triazol-1-yl]cyclopentan-1-ol
SMILESNCc1cn(C2CCCC2O)nn1
InChIInChI=1S/C8H14N4O/c9-4-6-5-12(11-10-6)7-2-1-3-8(7)13/h5,7-8,13H,1-4,9H2
InChIKeyGJHDQINGPNEHOI-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.18
Rot. Bonds2

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

2-[4-(aminomethyl)triazol-1-yl]cyclopentan-1-ol (PubChem CID 62054284) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 2-[4-(aminomethyl)triazol-1-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[4-(aminomethyl)triazol-1-yl]cyclopentan-1-ol
PubChem CID62054284
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name2-[4-(aminomethyl)triazol-1-yl]cyclopentan-1-ol
SMILESNCc1cn(C2CCCC2O)nn1
InChIInChI=1S/C8H14N4O/c9-4-6-5-12(11-10-6)7-2-1-3-8(7)13/h5,7-8,13H,1-4,9H2
InChIKeyGJHDQINGPNEHOI-UHFFFAOYSA-N
XLogP-0.18
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]cyclopentan-1-ol?
The IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]cyclopentan-1-ol (CID 62054284) is 2-[4-(aminomethyl)triazol-1-yl]cyclopentan-1-ol.
What is the SMILES notation for 2-[4-(aminomethyl)triazol-1-yl]cyclopentan-1-ol?
The canonical SMILES for 2-[4-(aminomethyl)triazol-1-yl]cyclopentan-1-ol is NCc1cn(C2CCCC2O)nn1.
What is the InChIKey of 2-[4-(aminomethyl)triazol-1-yl]cyclopentan-1-ol?
The InChIKey is GJHDQINGPNEHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c9-4-6-5-12(11-10-6)7-2-1-3-8(7)13/h5,7-8,13H,1-4,9H2.
What are the key properties of 2-[4-(aminomethyl)triazol-1-yl]cyclopentan-1-ol?
2-[4-(aminomethyl)triazol-1-yl]cyclopentan-1-ol has a molecular weight of 182.23 g/mol, XLogP of -0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)triazol-1-yl]cyclopentan-1-ol is sourced from PubChem (CID 62054284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).