1-(5-pentan-3-yl-1H-1,2,4-triazol-3-yl)cyclopropan-1-ol

C10H17N3O — CID 170058258

IUPAC1-(5-pentan-3-yl-1H-1,2,4-triazol-3-yl)cyclopropan-1-ol
SMILESCCC(CC)c1nc(C2(O)CC2)n[nH]1
InChIInChI=1S/C10H17N3O/c1-3-7(4-2)8-11-9(13-12-8)10(14)5-6-10/h7,14H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyRYHVPOTVCJSGND-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.69
Rot. Bonds4

About 1-(5-pentan-3-yl-1H-1,2,4-triazol-3-yl)cyclopropan-1-ol

1-(5-pentan-3-yl-1H-1,2,4-triazol-3-yl)cyclopropan-1-ol (PubChem CID 170058258) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 1-(5-pentan-3-yl-1H-1,2,4-triazol-3-yl)cyclopropan-1-ol.

Molecular Properties

Compound Name1-(5-pentan-3-yl-1H-1,2,4-triazol-3-yl)cyclopropan-1-ol
PubChem CID170058258
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name1-(5-pentan-3-yl-1H-1,2,4-triazol-3-yl)cyclopropan-1-ol
SMILESCCC(CC)c1nc(C2(O)CC2)n[nH]1
InChIInChI=1S/C10H17N3O/c1-3-7(4-2)8-11-9(13-12-8)10(14)5-6-10/h7,14H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyRYHVPOTVCJSGND-UHFFFAOYSA-N
XLogP1.69
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-pentan-3-yl-1H-1,2,4-triazol-3-yl)cyclopropan-1-ol?
The IUPAC name of 1-(5-pentan-3-yl-1H-1,2,4-triazol-3-yl)cyclopropan-1-ol (CID 170058258) is 1-(5-pentan-3-yl-1H-1,2,4-triazol-3-yl)cyclopropan-1-ol.
What is the SMILES notation for 1-(5-pentan-3-yl-1H-1,2,4-triazol-3-yl)cyclopropan-1-ol?
The canonical SMILES for 1-(5-pentan-3-yl-1H-1,2,4-triazol-3-yl)cyclopropan-1-ol is CCC(CC)c1nc(C2(O)CC2)n[nH]1.
What is the InChIKey of 1-(5-pentan-3-yl-1H-1,2,4-triazol-3-yl)cyclopropan-1-ol?
The InChIKey is RYHVPOTVCJSGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-3-7(4-2)8-11-9(13-12-8)10(14)5-6-10/h7,14H,3-6H2,1-2H3,(H,11,12,13).
What are the key properties of 1-(5-pentan-3-yl-1H-1,2,4-triazol-3-yl)cyclopropan-1-ol?
1-(5-pentan-3-yl-1H-1,2,4-triazol-3-yl)cyclopropan-1-ol has a molecular weight of 195.27 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-pentan-3-yl-1H-1,2,4-triazol-3-yl)cyclopropan-1-ol is sourced from PubChem (CID 170058258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).