(1-naphthalen-1-yl-5-pyridin-3-yltriazol-4-yl)methanol

C18H14N4O — CID 82199759

IUPAC(1-naphthalen-1-yl-5-pyridin-3-yltriazol-4-yl)methanol
SMILESOCc1nnn(-c2cccc3ccccc23)c1-c1cccnc1
InChIInChI=1S/C18H14N4O/c23-12-16-18(14-7-4-10-19-11-14)22(21-20-16)17-9-3-6-13-5-1-2-8-15(13)17/h1-11,23H,12H2
InChIKeyMUCSUGUTLOCAJV-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.97
Rot. Bonds3

About (1-naphthalen-1-yl-5-pyridin-3-yltriazol-4-yl)methanol

(1-naphthalen-1-yl-5-pyridin-3-yltriazol-4-yl)methanol (PubChem CID 82199759) has the molecular formula C18H14N4O and a molecular weight of 302.34 g/mol. Its IUPAC name is (1-naphthalen-1-yl-5-pyridin-3-yltriazol-4-yl)methanol.

Molecular Properties

Compound Name(1-naphthalen-1-yl-5-pyridin-3-yltriazol-4-yl)methanol
PubChem CID82199759
Molecular FormulaC18H14N4O
Molecular Weight302.34 g/mol
Exact Mass302.12
IUPAC Name(1-naphthalen-1-yl-5-pyridin-3-yltriazol-4-yl)methanol
SMILESOCc1nnn(-c2cccc3ccccc23)c1-c1cccnc1
InChIInChI=1S/C18H14N4O/c23-12-16-18(14-7-4-10-19-11-14)22(21-20-16)17-9-3-6-13-5-1-2-8-15(13)17/h1-11,23H,12H2
InChIKeyMUCSUGUTLOCAJV-UHFFFAOYSA-N
XLogP2.97
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-naphthalen-1-yl-5-pyridin-3-yltriazol-4-yl)methanol?
The IUPAC name of (1-naphthalen-1-yl-5-pyridin-3-yltriazol-4-yl)methanol (CID 82199759) is (1-naphthalen-1-yl-5-pyridin-3-yltriazol-4-yl)methanol.
What is the SMILES notation for (1-naphthalen-1-yl-5-pyridin-3-yltriazol-4-yl)methanol?
The canonical SMILES for (1-naphthalen-1-yl-5-pyridin-3-yltriazol-4-yl)methanol is OCc1nnn(-c2cccc3ccccc23)c1-c1cccnc1.
What is the InChIKey of (1-naphthalen-1-yl-5-pyridin-3-yltriazol-4-yl)methanol?
The InChIKey is MUCSUGUTLOCAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O/c23-12-16-18(14-7-4-10-19-11-14)22(21-20-16)17-9-3-6-13-5-1-2-8-15(13)17/h1-11,23H,12H2.
What are the key properties of (1-naphthalen-1-yl-5-pyridin-3-yltriazol-4-yl)methanol?
(1-naphthalen-1-yl-5-pyridin-3-yltriazol-4-yl)methanol has a molecular weight of 302.34 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-naphthalen-1-yl-5-pyridin-3-yltriazol-4-yl)methanol is sourced from PubChem (CID 82199759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).