2-(6-methyl-2-pyridinyl)-2-(3-methyltriazolo[4,5-b]pyridin-5-yl)acetaldehyde

C14H13N5O — CID 87958162

IUPAC2-(6-methyl-2-pyridinyl)-2-(3-methyltriazolo[4,5-b]pyridin-5-yl)acetaldehyde
SMILESCc1cccc(C(C=O)c2ccc3nnn(C)c3n2)n1
InChIInChI=1S/C14H13N5O/c1-9-4-3-5-11(15-9)10(8-20)12-6-7-13-14(16-12)19(2)18-17-13/h3-8,10H,1-2H3
InChIKeyOYONCYULICOWTR-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.40
Rot. Bonds3

About 2-(6-methyl-2-pyridinyl)-2-(3-methyltriazolo[4,5-b]pyridin-5-yl)acetaldehyde

2-(6-methyl-2-pyridinyl)-2-(3-methyltriazolo[4,5-b]pyridin-5-yl)acetaldehyde (PubChem CID 87958162) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-(6-methyl-2-pyridinyl)-2-(3-methyltriazolo[4,5-b]pyridin-5-yl)acetaldehyde.

Molecular Properties

Compound Name2-(6-methyl-2-pyridinyl)-2-(3-methyltriazolo[4,5-b]pyridin-5-yl)acetaldehyde
PubChem CID87958162
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name2-(6-methyl-2-pyridinyl)-2-(3-methyltriazolo[4,5-b]pyridin-5-yl)acetaldehyde
SMILESCc1cccc(C(C=O)c2ccc3nnn(C)c3n2)n1
InChIInChI=1S/C14H13N5O/c1-9-4-3-5-11(15-9)10(8-20)12-6-7-13-14(16-12)19(2)18-17-13/h3-8,10H,1-2H3
InChIKeyOYONCYULICOWTR-UHFFFAOYSA-N
XLogP1.40
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 59995648
CID 69222084
CID 69222084
CID 87891627
CID 87891627
CID 88255717
CID 88255717
CID 121289752
CID 121289752
CID 129169019
CID 129169019
CID 130451176
CID 130451176
CID 140060473
CID 140060473

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2-pyridinyl)-2-(3-methyltriazolo[4,5-b]pyridin-5-yl)acetaldehyde?
The IUPAC name of 2-(6-methyl-2-pyridinyl)-2-(3-methyltriazolo[4,5-b]pyridin-5-yl)acetaldehyde (CID 87958162) is 2-(6-methyl-2-pyridinyl)-2-(3-methyltriazolo[4,5-b]pyridin-5-yl)acetaldehyde.
What is the SMILES notation for 2-(6-methyl-2-pyridinyl)-2-(3-methyltriazolo[4,5-b]pyridin-5-yl)acetaldehyde?
The canonical SMILES for 2-(6-methyl-2-pyridinyl)-2-(3-methyltriazolo[4,5-b]pyridin-5-yl)acetaldehyde is Cc1cccc(C(C=O)c2ccc3nnn(C)c3n2)n1.
What is the InChIKey of 2-(6-methyl-2-pyridinyl)-2-(3-methyltriazolo[4,5-b]pyridin-5-yl)acetaldehyde?
The InChIKey is OYONCYULICOWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c1-9-4-3-5-11(15-9)10(8-20)12-6-7-13-14(16-12)19(2)18-17-13/h3-8,10H,1-2H3.
What are the key properties of 2-(6-methyl-2-pyridinyl)-2-(3-methyltriazolo[4,5-b]pyridin-5-yl)acetaldehyde?
2-(6-methyl-2-pyridinyl)-2-(3-methyltriazolo[4,5-b]pyridin-5-yl)acetaldehyde has a molecular weight of 267.29 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2-pyridinyl)-2-(3-methyltriazolo[4,5-b]pyridin-5-yl)acetaldehyde is sourced from PubChem (CID 87958162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).