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

C20H25N7O — CID 71798164

IUPACN-(4-butylphenyl)-1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide
SMILESCCCCc1ccc(NC(=O)C2CN(c3ncnc4c3nnn4CC)C2)cc1
InChIInChI=1S/C20H25N7O/c1-3-5-6-14-7-9-16(10-8-14)23-20(28)15-11-26(12-15)18-17-19(22-13-21-18)27(4-2)25-24-17/h7-10,13,15H,3-6,11-12H2,1-2H3,(H,23,28)
InChIKeyRCGSYYHQWOPLKY-UHFFFAOYSA-N
MW379.47 g/mol
LogP2.66
Rot. Bonds7

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

N-(4-butylphenyl)-1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide (PubChem CID 71798164) has the molecular formula C20H25N7O and a molecular weight of 379.47 g/mol. Its IUPAC name is N-(4-butylphenyl)-1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide
PubChem CID71798164
Molecular FormulaC20H25N7O
Molecular Weight379.47 g/mol
Exact Mass379.21
IUPAC NameN-(4-butylphenyl)-1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide
SMILESCCCCc1ccc(NC(=O)C2CN(c3ncnc4c3nnn4CC)C2)cc1
InChIInChI=1S/C20H25N7O/c1-3-5-6-14-7-9-16(10-8-14)23-20(28)15-11-26(12-15)18-17-19(22-13-21-18)27(4-2)25-24-17/h7-10,13,15H,3-6,11-12H2,1-2H3,(H,23,28)
InChIKeyRCGSYYHQWOPLKY-UHFFFAOYSA-N
XLogP2.66
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-acetamidophenyl)-1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide
CID 90557737
1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide
CID 90557836
butyl 4-[[1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carbonyl]amino]benzoate
CID 90557531
N-[2-(cyclohexen-1-yl)ethyl]-1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide
CID 90557692
N-(4-methoxyphenyl)-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide
CID 90557520
N-(4-butylphenyl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide
CID 121168397
N-[(2,4-difluorophenyl)methyl]-1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide
CID 90557830
N-(3,4-difluorophenyl)-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide
CID 90557548
3,4-dihydro-2H-quinolin-1-yl-[1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]methanone
CID 90557715
N-(4-butylphenyl)-2-[3-[(4-methylphenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetamide
CID 41027597
N-[4-[(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)amino]phenyl]acetamide
CID 7584534
N-(4-butylphenyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 90604444

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide?
The IUPAC name of N-(4-butylphenyl)-1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide (CID 71798164) is N-(4-butylphenyl)-1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide.
What is the SMILES notation for N-(4-butylphenyl)-1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide?
The canonical SMILES for N-(4-butylphenyl)-1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide is CCCCc1ccc(NC(=O)C2CN(c3ncnc4c3nnn4CC)C2)cc1.
What is the InChIKey of N-(4-butylphenyl)-1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide?
The InChIKey is RCGSYYHQWOPLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O/c1-3-5-6-14-7-9-16(10-8-14)23-20(28)15-11-26(12-15)18-17-19(22-13-21-18)27(4-2)25-24-17/h7-10,13,15H,3-6,11-12H2,1-2H3,(H,23,28).
What are the key properties of N-(4-butylphenyl)-1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide?
N-(4-butylphenyl)-1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide has a molecular weight of 379.47 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide is sourced from PubChem (CID 71798164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).