1-(triazol-1-ylmethyl)cyclopropan-1-ol

C6H9N3O — CID 84648394

IUPAC1-(triazol-1-ylmethyl)cyclopropan-1-ol
SMILESOC1(Cn2ccnn2)CC1
InChIInChI=1S/C6H9N3O/c10-6(1-2-6)5-9-4-3-7-8-9/h3-4,10H,1-2,5H2
InChIKeyLDEYOGCRZHQLMU-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.20
Rot. Bonds2

About 1-(triazol-1-ylmethyl)cyclopropan-1-ol

1-(triazol-1-ylmethyl)cyclopropan-1-ol (PubChem CID 84648394) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 1-(triazol-1-ylmethyl)cyclopropan-1-ol.

Molecular Properties

Compound Name1-(triazol-1-ylmethyl)cyclopropan-1-ol
PubChem CID84648394
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name1-(triazol-1-ylmethyl)cyclopropan-1-ol
SMILESOC1(Cn2ccnn2)CC1
InChIInChI=1S/C6H9N3O/c10-6(1-2-6)5-9-4-3-7-8-9/h3-4,10H,1-2,5H2
InChIKeyLDEYOGCRZHQLMU-UHFFFAOYSA-N
XLogP-0.20
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(triazol-1-ylmethyl)cyclopropan-1-ol?
The IUPAC name of 1-(triazol-1-ylmethyl)cyclopropan-1-ol (CID 84648394) is 1-(triazol-1-ylmethyl)cyclopropan-1-ol.
What is the SMILES notation for 1-(triazol-1-ylmethyl)cyclopropan-1-ol?
The canonical SMILES for 1-(triazol-1-ylmethyl)cyclopropan-1-ol is OC1(Cn2ccnn2)CC1.
What is the InChIKey of 1-(triazol-1-ylmethyl)cyclopropan-1-ol?
The InChIKey is LDEYOGCRZHQLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c10-6(1-2-6)5-9-4-3-7-8-9/h3-4,10H,1-2,5H2.
What are the key properties of 1-(triazol-1-ylmethyl)cyclopropan-1-ol?
1-(triazol-1-ylmethyl)cyclopropan-1-ol has a molecular weight of 139.16 g/mol, XLogP of -0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(triazol-1-ylmethyl)cyclopropan-1-ol is sourced from PubChem (CID 84648394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).