1-(5-hydroxynaphthalen-1-yl)-5-pyridin-4-yltriazole-4-carbaldehyde

C18H12N4O2 — CID 94938119

IUPAC1-(5-hydroxynaphthalen-1-yl)-5-pyridin-4-yltriazole-4-carbaldehyde
SMILESO=Cc1nnn(-c2cccc3c(O)cccc23)c1-c1ccncc1
InChIInChI=1S/C18H12N4O2/c23-11-15-18(12-7-9-19-10-8-12)22(21-20-15)16-5-1-4-14-13(16)3-2-6-17(14)24/h1-11,24H
InChIKeyYZLOOPKJSZWZFT-UHFFFAOYSA-N
MW316.32 g/mol
LogP3.00
Rot. Bonds3

About 1-(5-hydroxynaphthalen-1-yl)-5-pyridin-4-yltriazole-4-carbaldehyde

1-(5-hydroxynaphthalen-1-yl)-5-pyridin-4-yltriazole-4-carbaldehyde (PubChem CID 94938119) has the molecular formula C18H12N4O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is 1-(5-hydroxynaphthalen-1-yl)-5-pyridin-4-yltriazole-4-carbaldehyde.

Molecular Properties

Compound Name1-(5-hydroxynaphthalen-1-yl)-5-pyridin-4-yltriazole-4-carbaldehyde
PubChem CID94938119
Molecular FormulaC18H12N4O2
Molecular Weight316.32 g/mol
Exact Mass316.10
IUPAC Name1-(5-hydroxynaphthalen-1-yl)-5-pyridin-4-yltriazole-4-carbaldehyde
SMILESO=Cc1nnn(-c2cccc3c(O)cccc23)c1-c1ccncc1
InChIInChI=1S/C18H12N4O2/c23-11-15-18(12-7-9-19-10-8-12)22(21-20-15)16-5-1-4-14-13(16)3-2-6-17(14)24/h1-11,24H
InChIKeyYZLOOPKJSZWZFT-UHFFFAOYSA-N
XLogP3.00
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-naphthalen-1-yl-5-phenyltriazole-4-carbaldehyde
CID 82199758
1-(3-methylphenyl)-5-pyridin-4-yltriazole-4-carbaldehyde
CID 82198019
4-(4-formyl-5-pyridin-4-yltriazol-1-yl)benzoic acid
CID 82199993
5-[4-(hydroxymethyl)-5-phenyltriazol-1-yl]naphthalen-1-ol
CID 94938110
5-pyridin-4-yl-1-(1,3-thiazol-2-yl)triazole-4-carbaldehyde
CID 82220879
1-(3,5-dimethylphenyl)-5-pyridin-4-yltriazole-4-carbaldehyde
CID 82198767
1-(2,5-dimethoxyphenyl)-5-pyridin-4-yltriazole-4-carbaldehyde
CID 94938608
5-(3,4-dimethylphenyl)-1-(2-methylphenyl)triazole-4-carbaldehyde
CID 82198214
5-(4-formyl-5-phenyltriazol-1-yl)-2-hydroxybenzoic acid
CID 94938925
5-(3,4-difluorophenyl)-1-(2-fluorophenyl)triazole-4-carbaldehyde
CID 82196544
1-(2,5-dimethylphenyl)-5-(4-methylphenyl)triazole-4-carbaldehyde
CID 82195826
1-(2,3-dimethylphenyl)-5-(3-fluorophenyl)triazole-4-carbaldehyde
CID 82195707

Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxynaphthalen-1-yl)-5-pyridin-4-yltriazole-4-carbaldehyde?
The IUPAC name of 1-(5-hydroxynaphthalen-1-yl)-5-pyridin-4-yltriazole-4-carbaldehyde (CID 94938119) is 1-(5-hydroxynaphthalen-1-yl)-5-pyridin-4-yltriazole-4-carbaldehyde.
What is the SMILES notation for 1-(5-hydroxynaphthalen-1-yl)-5-pyridin-4-yltriazole-4-carbaldehyde?
The canonical SMILES for 1-(5-hydroxynaphthalen-1-yl)-5-pyridin-4-yltriazole-4-carbaldehyde is O=Cc1nnn(-c2cccc3c(O)cccc23)c1-c1ccncc1.
What is the InChIKey of 1-(5-hydroxynaphthalen-1-yl)-5-pyridin-4-yltriazole-4-carbaldehyde?
The InChIKey is YZLOOPKJSZWZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4O2/c23-11-15-18(12-7-9-19-10-8-12)22(21-20-15)16-5-1-4-14-13(16)3-2-6-17(14)24/h1-11,24H.
What are the key properties of 1-(5-hydroxynaphthalen-1-yl)-5-pyridin-4-yltriazole-4-carbaldehyde?
1-(5-hydroxynaphthalen-1-yl)-5-pyridin-4-yltriazole-4-carbaldehyde has a molecular weight of 316.32 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxynaphthalen-1-yl)-5-pyridin-4-yltriazole-4-carbaldehyde is sourced from PubChem (CID 94938119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).