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

C16H17N7O2 — CID 90557519

IUPACN-(3-methoxyphenyl)-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide
SMILESCOc1cccc(NC(=O)C2CN(c3ncnc4c3nnn4C)C2)c1
InChIInChI=1S/C16H17N7O2/c1-22-14-13(20-21-22)15(18-9-17-14)23-7-10(8-23)16(24)19-11-4-3-5-12(6-11)25-2/h3-6,9-10H,7-8H2,1-2H3,(H,19,24)
InChIKeyDHCKNHBZAIHZJA-UHFFFAOYSA-N
MW339.36 g/mol
LogP0.84
Rot. Bonds4

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

N-(3-methoxyphenyl)-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide (PubChem CID 90557519) has the molecular formula C16H17N7O2 and a molecular weight of 339.36 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide
PubChem CID90557519
Molecular FormulaC16H17N7O2
Molecular Weight339.36 g/mol
Exact Mass339.14
IUPAC NameN-(3-methoxyphenyl)-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide
SMILESCOc1cccc(NC(=O)C2CN(c3ncnc4c3nnn4C)C2)c1
InChIInChI=1S/C16H17N7O2/c1-22-14-13(20-21-22)15(18-9-17-14)23-7-10(8-23)16(24)19-11-4-3-5-12(6-11)25-2/h3-6,9-10H,7-8H2,1-2H3,(H,19,24)
InChIKeyDHCKNHBZAIHZJA-UHFFFAOYSA-N
XLogP0.84
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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-(3,4-difluorophenyl)-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide
CID 90557548
N-(3-acetamidophenyl)-1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide
CID 90557737
N-(5-chloro-2-methylphenyl)-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide
CID 90557560
butyl 4-[[1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carbonyl]amino]benzoate
CID 90557531
(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]methanone
CID 90557430
[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]methanone
CID 90557462
N-(6-chloro-1,3-benzothiazol-2-yl)-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide
CID 90557606
1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-N-(2-phenoxyphenyl)azetidine-3-carboxamide
CID 90557797
4-amino-N-(3-methoxyphenyl)cyclohexane-1-carboxamide
CID 60848992

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide (CID 90557519) is N-(3-methoxyphenyl)-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide is COc1cccc(NC(=O)C2CN(c3ncnc4c3nnn4C)C2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide?
The InChIKey is DHCKNHBZAIHZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O2/c1-22-14-13(20-21-22)15(18-9-17-14)23-7-10(8-23)16(24)19-11-4-3-5-12(6-11)25-2/h3-6,9-10H,7-8H2,1-2H3,(H,19,24).
What are the key properties of N-(3-methoxyphenyl)-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide?
N-(3-methoxyphenyl)-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide has a molecular weight of 339.36 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide is sourced from PubChem (CID 90557519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).