1-ethyl-5-pyridin-3-yltriazole-4-carbaldehyde

C10H10N4O — CID 82207352

IUPAC1-ethyl-5-pyridin-3-yltriazole-4-carbaldehyde
SMILESCCn1nnc(C=O)c1-c1cccnc1
InChIInChI=1S/C10H10N4O/c1-2-14-10(9(7-15)12-13-14)8-4-3-5-11-6-8/h3-7H,2H2,1H3
InChIKeyOUJPCEDAUCLVSU-UHFFFAOYSA-N
MW202.22 g/mol
LogP1.17
Rot. Bonds3

About 1-ethyl-5-pyridin-3-yltriazole-4-carbaldehyde

1-ethyl-5-pyridin-3-yltriazole-4-carbaldehyde (PubChem CID 82207352) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is 1-ethyl-5-pyridin-3-yltriazole-4-carbaldehyde.

Molecular Properties

Compound Name1-ethyl-5-pyridin-3-yltriazole-4-carbaldehyde
PubChem CID82207352
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC Name1-ethyl-5-pyridin-3-yltriazole-4-carbaldehyde
SMILESCCn1nnc(C=O)c1-c1cccnc1
InChIInChI=1S/C10H10N4O/c1-2-14-10(9(7-15)12-13-14)8-4-3-5-11-6-8/h3-7H,2H2,1H3
InChIKeyOUJPCEDAUCLVSU-UHFFFAOYSA-N
XLogP1.17
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-pyridin-3-yltriazole-4-carbaldehyde
CID 90741104
1-[(4-nitrophenyl)methyl]-5-pyridin-3-yltriazole-4-carbaldehyde
CID 94943673
1-ethyl-3-pyridin-3-ylpyrazole-5-carbaldehyde
CID 84761337
1-butyl-5-(3-methoxyphenyl)triazole-4-carbaldehyde
CID 82205339
5-(3-methoxyphenyl)-1-(2-methylpropyl)triazole-4-carbaldehyde
CID 82208619
2-[4-formyl-5-(3-methoxyphenyl)triazol-1-yl]acetonitrile
CID 82206461
1-[(4-fluorophenyl)methyl]-5-phenyltriazole-4-carbaldehyde
CID 82203519
N-[[1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-pyridin-3-yltriazol-4-yl]methylidene]hydroxylamine
CID 86601248
(1-hexyl-5-pyridin-3-yltriazol-4-yl)methanol
CID 82206041
5-(4-fluorophenyl)-1-pentyltriazole-4-carbaldehyde
CID 82205689
[1-(2-methylpropyl)-5-pyridin-3-yltriazol-4-yl]methanol
CID 82208683
ethane;3-(1-methyltriazol-4-yl)pyridine
CID 159786313

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-pyridin-3-yltriazole-4-carbaldehyde?
The IUPAC name of 1-ethyl-5-pyridin-3-yltriazole-4-carbaldehyde (CID 82207352) is 1-ethyl-5-pyridin-3-yltriazole-4-carbaldehyde.
What is the SMILES notation for 1-ethyl-5-pyridin-3-yltriazole-4-carbaldehyde?
The canonical SMILES for 1-ethyl-5-pyridin-3-yltriazole-4-carbaldehyde is CCn1nnc(C=O)c1-c1cccnc1.
What is the InChIKey of 1-ethyl-5-pyridin-3-yltriazole-4-carbaldehyde?
The InChIKey is OUJPCEDAUCLVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O/c1-2-14-10(9(7-15)12-13-14)8-4-3-5-11-6-8/h3-7H,2H2,1H3.
What are the key properties of 1-ethyl-5-pyridin-3-yltriazole-4-carbaldehyde?
1-ethyl-5-pyridin-3-yltriazole-4-carbaldehyde has a molecular weight of 202.22 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-pyridin-3-yltriazole-4-carbaldehyde is sourced from PubChem (CID 82207352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).