1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-N-(pyridin-2-ylmethyl)azetidine-3-carboxamide

C16H18N8O — CID 90557703

IUPAC1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-N-(pyridin-2-ylmethyl)azetidine-3-carboxamide
SMILESCCn1nnc2c(N3CC(C(=O)NCc4ccccn4)C3)ncnc21
InChIInChI=1S/C16H18N8O/c1-2-24-15-13(21-22-24)14(19-10-20-15)23-8-11(9-23)16(25)18-7-12-5-3-4-6-17-12/h3-6,10-11H,2,7-9H2,1H3,(H,18,25)
InChIKeyZLFFHAUIUWZLLT-UHFFFAOYSA-N
MW338.38 g/mol
LogP0.39
Rot. Bonds5

About 1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-N-(pyridin-2-ylmethyl)azetidine-3-carboxamide

1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-N-(pyridin-2-ylmethyl)azetidine-3-carboxamide (PubChem CID 90557703) has the molecular formula C16H18N8O and a molecular weight of 338.38 g/mol. Its IUPAC name is 1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-N-(pyridin-2-ylmethyl)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-N-(pyridin-2-ylmethyl)azetidine-3-carboxamide
PubChem CID90557703
Molecular FormulaC16H18N8O
Molecular Weight338.38 g/mol
Exact Mass338.16
IUPAC Name1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-N-(pyridin-2-ylmethyl)azetidine-3-carboxamide
SMILESCCn1nnc2c(N3CC(C(=O)NCc4ccccn4)C3)ncnc21
InChIInChI=1S/C16H18N8O/c1-2-24-15-13(21-22-24)14(19-10-20-15)23-8-11(9-23)16(25)18-7-12-5-3-4-6-17-12/h3-6,10-11H,2,7-9H2,1H3,(H,18,25)
InChIKeyZLFFHAUIUWZLLT-UHFFFAOYSA-N
XLogP0.39
TPSA101.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-N-(pyridin-2-ylmethyl)azetidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2,4-difluorophenyl)methyl]-1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide
CID 90557830
1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-N-(2-phenoxyphenyl)azetidine-3-carboxamide
CID 90557797
N-[2-(cyclohexen-1-yl)ethyl]-1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide
CID 90557692
N-(4-butylphenyl)-1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide
CID 71798164
3,4-dihydro-2H-quinolin-1-yl-[1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]methanone
CID 90557715
7-(azepan-1-yl)-3-ethyltriazolo[4,5-d]pyrimidine
CID 7584315
[4-(3-chlorophenyl)piperazin-1-yl]-[1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]methanone
CID 90557670
N-(cyclohexylmethyl)-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide
CID 90557585
3-ethyl-7-(4-ethylpiperazin-1-yl)triazolo[4,5-d]pyrimidine
CID 7584344
1-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 50771156
1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]-N-(pyridin-2-ylmethyl)azetidine-3-carboxamide
CID 136613223
1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 53199213

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-N-(pyridin-2-ylmethyl)azetidine-3-carboxamide?
The IUPAC name of 1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-N-(pyridin-2-ylmethyl)azetidine-3-carboxamide (CID 90557703) is 1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-N-(pyridin-2-ylmethyl)azetidine-3-carboxamide.
What is the SMILES notation for 1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-N-(pyridin-2-ylmethyl)azetidine-3-carboxamide?
The canonical SMILES for 1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-N-(pyridin-2-ylmethyl)azetidine-3-carboxamide is CCn1nnc2c(N3CC(C(=O)NCc4ccccn4)C3)ncnc21.
What is the InChIKey of 1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-N-(pyridin-2-ylmethyl)azetidine-3-carboxamide?
The InChIKey is ZLFFHAUIUWZLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N8O/c1-2-24-15-13(21-22-24)14(19-10-20-15)23-8-11(9-23)16(25)18-7-12-5-3-4-6-17-12/h3-6,10-11H,2,7-9H2,1H3,(H,18,25).
What are the key properties of 1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-N-(pyridin-2-ylmethyl)azetidine-3-carboxamide?
1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-N-(pyridin-2-ylmethyl)azetidine-3-carboxamide has a molecular weight of 338.38 g/mol, XLogP of 0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-N-(pyridin-2-ylmethyl)azetidine-3-carboxamide is sourced from PubChem (CID 90557703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).