triazol-1-ylmethanol

C3H5N3O — CID 15568557

IUPACtriazol-1-ylmethanol
SMILESOCn1ccnn1
InChIInChI=1S/C3H5N3O/c7-3-6-2-1-4-5-6/h1-2,7H,3H2
InChIKeyJPMCMQORJRTDKK-UHFFFAOYSA-N
MW99.09 g/mol
LogP-0.77
Rot. Bonds1

About triazol-1-ylmethanol

triazol-1-ylmethanol (PubChem CID 15568557) has the molecular formula C3H5N3O and a molecular weight of 99.09 g/mol. Its IUPAC name is triazol-1-ylmethanol.

Molecular Properties

Compound Nametriazol-1-ylmethanol
PubChem CID15568557
Molecular FormulaC3H5N3O
Molecular Weight99.09 g/mol
Exact Mass99.04
IUPAC Nametriazol-1-ylmethanol
SMILESOCn1ccnn1
InChIInChI=1S/C3H5N3O/c7-3-6-2-1-4-5-6/h1-2,7H,3H2
InChIKeyJPMCMQORJRTDKK-UHFFFAOYSA-N
XLogP-0.77
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.09
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of triazol-1-ylmethanol?
The IUPAC name of triazol-1-ylmethanol (CID 15568557) is triazol-1-ylmethanol.
What is the SMILES notation for triazol-1-ylmethanol?
The canonical SMILES for triazol-1-ylmethanol is OCn1ccnn1.
What is the InChIKey of triazol-1-ylmethanol?
The InChIKey is JPMCMQORJRTDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N3O/c7-3-6-2-1-4-5-6/h1-2,7H,3H2.
What are the key properties of triazol-1-ylmethanol?
triazol-1-ylmethanol has a molecular weight of 99.09 g/mol, XLogP of -0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triazol-1-ylmethanol is sourced from PubChem (CID 15568557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).