1-[(2-methyltriazol-4-yl)methyl]cyclopentan-1-ol

C9H15N3O — CID 126984479

IUPAC1-[(2-methyltriazol-4-yl)methyl]cyclopentan-1-ol
SMILESCn1ncc(CC2(O)CCCC2)n1
InChIInChI=1S/C9H15N3O/c1-12-10-7-8(11-12)6-9(13)4-2-3-5-9/h7,13H,2-6H2,1H3
InChIKeyVYMOLEJSWHMQBU-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.66
Rot. Bonds2

About 1-[(2-methyltriazol-4-yl)methyl]cyclopentan-1-ol

1-[(2-methyltriazol-4-yl)methyl]cyclopentan-1-ol (PubChem CID 126984479) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-[(2-methyltriazol-4-yl)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(2-methyltriazol-4-yl)methyl]cyclopentan-1-ol
PubChem CID126984479
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name1-[(2-methyltriazol-4-yl)methyl]cyclopentan-1-ol
SMILESCn1ncc(CC2(O)CCCC2)n1
InChIInChI=1S/C9H15N3O/c1-12-10-7-8(11-12)6-9(13)4-2-3-5-9/h7,13H,2-6H2,1H3
InChIKeyVYMOLEJSWHMQBU-UHFFFAOYSA-N
XLogP0.66
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyltriazol-4-yl)methyl]cyclopentan-1-ol?
The IUPAC name of 1-[(2-methyltriazol-4-yl)methyl]cyclopentan-1-ol (CID 126984479) is 1-[(2-methyltriazol-4-yl)methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(2-methyltriazol-4-yl)methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[(2-methyltriazol-4-yl)methyl]cyclopentan-1-ol is Cn1ncc(CC2(O)CCCC2)n1.
What is the InChIKey of 1-[(2-methyltriazol-4-yl)methyl]cyclopentan-1-ol?
The InChIKey is VYMOLEJSWHMQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-12-10-7-8(11-12)6-9(13)4-2-3-5-9/h7,13H,2-6H2,1H3.
What are the key properties of 1-[(2-methyltriazol-4-yl)methyl]cyclopentan-1-ol?
1-[(2-methyltriazol-4-yl)methyl]cyclopentan-1-ol has a molecular weight of 181.24 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyltriazol-4-yl)methyl]cyclopentan-1-ol is sourced from PubChem (CID 126984479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).