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

C15H13F2N7O — CID 90557548

IUPACN-(3,4-difluorophenyl)-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide
SMILESCn1nnc2c(N3CC(C(=O)Nc4ccc(F)c(F)c4)C3)ncnc21
InChIInChI=1S/C15H13F2N7O/c1-23-13-12(21-22-23)14(19-7-18-13)24-5-8(6-24)15(25)20-9-2-3-10(16)11(17)4-9/h2-4,7-8H,5-6H2,1H3,(H,20,25)
InChIKeyJKTHQNPPOBWHMA-UHFFFAOYSA-N
MW345.31 g/mol
LogP1.11
Rot. Bonds3

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

N-(3,4-difluorophenyl)-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide (PubChem CID 90557548) has the molecular formula C15H13F2N7O and a molecular weight of 345.31 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide
PubChem CID90557548
Molecular FormulaC15H13F2N7O
Molecular Weight345.31 g/mol
Exact Mass345.11
IUPAC NameN-(3,4-difluorophenyl)-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide
SMILESCn1nnc2c(N3CC(C(=O)Nc4ccc(F)c(F)c4)C3)ncnc21
InChIInChI=1S/C15H13F2N7O/c1-23-13-12(21-22-23)14(19-7-18-13)24-5-8(6-24)15(25)20-9-2-3-10(16)11(17)4-9/h2-4,7-8H,5-6H2,1H3,(H,20,25)
InChIKeyJKTHQNPPOBWHMA-UHFFFAOYSA-N
XLogP1.11
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-acetamidophenyl)-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide
CID 90557525
N-(4-methoxyphenyl)-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide
CID 90557520
1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)-N-[3-(trifluoromethyl)phenyl]azetidine-3-carboxamide
CID 90557517
N-(3-methoxyphenyl)-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide
CID 90557519
N-(5-chloro-2-methylphenyl)-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide
CID 90557560
N-(6-chloro-1,3-benzothiazol-2-yl)-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide
CID 90557606
N-(cyclohexylmethyl)-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide
CID 90557585
N-(3-acetamidophenyl)-1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide
CID 90557737
N-[2-(4-methoxyphenyl)ethyl]-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide
CID 90557494
N-(4-butylphenyl)-1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide
CID 71798164
N-(3,4-difluorophenyl)-1-methylpiperidine-3-carboxamide
CID 110865367
7-[4-(2,5-difluorophenyl)piperazin-1-yl]-3-methyltriazolo[4,5-d]pyrimidine
CID 136552984

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide (CID 90557548) is N-(3,4-difluorophenyl)-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide is Cn1nnc2c(N3CC(C(=O)Nc4ccc(F)c(F)c4)C3)ncnc21.
What is the InChIKey of N-(3,4-difluorophenyl)-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide?
The InChIKey is JKTHQNPPOBWHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N7O/c1-23-13-12(21-22-23)14(19-7-18-13)24-5-8(6-24)15(25)20-9-2-3-10(16)11(17)4-9/h2-4,7-8H,5-6H2,1H3,(H,20,25).
What are the key properties of N-(3,4-difluorophenyl)-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide?
N-(3,4-difluorophenyl)-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide has a molecular weight of 345.31 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide is sourced from PubChem (CID 90557548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).