[5-cyclopropyl-1-[4-(pyridin-4-ylmethyl)phenyl]triazol-4-yl]methanol

C18H18N4O — CID 94939958

IUPAC[5-cyclopropyl-1-[4-(pyridin-4-ylmethyl)phenyl]triazol-4-yl]methanol
SMILESOCc1nnn(-c2ccc(Cc3ccncc3)cc2)c1C1CC1
InChIInChI=1S/C18H18N4O/c23-12-17-18(15-3-4-15)22(21-20-17)16-5-1-13(2-6-16)11-14-7-9-19-10-8-14/h1-2,5-10,15,23H,3-4,11-12H2
InChIKeyZZEWLJMGDUZCFH-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.62
Rot. Bonds5

About [5-cyclopropyl-1-[4-(pyridin-4-ylmethyl)phenyl]triazol-4-yl]methanol

[5-cyclopropyl-1-[4-(pyridin-4-ylmethyl)phenyl]triazol-4-yl]methanol (PubChem CID 94939958) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is [5-cyclopropyl-1-[4-(pyridin-4-ylmethyl)phenyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[5-cyclopropyl-1-[4-(pyridin-4-ylmethyl)phenyl]triazol-4-yl]methanol
PubChem CID94939958
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name[5-cyclopropyl-1-[4-(pyridin-4-ylmethyl)phenyl]triazol-4-yl]methanol
SMILESOCc1nnn(-c2ccc(Cc3ccncc3)cc2)c1C1CC1
InChIInChI=1S/C18H18N4O/c23-12-17-18(15-3-4-15)22(21-20-17)16-5-1-13(2-6-16)11-14-7-9-19-10-8-14/h1-2,5-10,15,23H,3-4,11-12H2
InChIKeyZZEWLJMGDUZCFH-UHFFFAOYSA-N
XLogP2.62
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-cyclopropyl-1-[4-(pyridin-4-ylmethyl)phenyl]triazol-4-yl]methanol?
The IUPAC name of [5-cyclopropyl-1-[4-(pyridin-4-ylmethyl)phenyl]triazol-4-yl]methanol (CID 94939958) is [5-cyclopropyl-1-[4-(pyridin-4-ylmethyl)phenyl]triazol-4-yl]methanol.
What is the SMILES notation for [5-cyclopropyl-1-[4-(pyridin-4-ylmethyl)phenyl]triazol-4-yl]methanol?
The canonical SMILES for [5-cyclopropyl-1-[4-(pyridin-4-ylmethyl)phenyl]triazol-4-yl]methanol is OCc1nnn(-c2ccc(Cc3ccncc3)cc2)c1C1CC1.
What is the InChIKey of [5-cyclopropyl-1-[4-(pyridin-4-ylmethyl)phenyl]triazol-4-yl]methanol?
The InChIKey is ZZEWLJMGDUZCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c23-12-17-18(15-3-4-15)22(21-20-17)16-5-1-13(2-6-16)11-14-7-9-19-10-8-14/h1-2,5-10,15,23H,3-4,11-12H2.
What are the key properties of [5-cyclopropyl-1-[4-(pyridin-4-ylmethyl)phenyl]triazol-4-yl]methanol?
[5-cyclopropyl-1-[4-(pyridin-4-ylmethyl)phenyl]triazol-4-yl]methanol has a molecular weight of 306.37 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyclopropyl-1-[4-(pyridin-4-ylmethyl)phenyl]triazol-4-yl]methanol is sourced from PubChem (CID 94939958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).