1-(azetidin-3-yl)-N-(3-methoxyphenyl)-N-methyltriazole-4-carboxamide

C14H17N5O2 — CID 79318707

IUPAC1-(azetidin-3-yl)-N-(3-methoxyphenyl)-N-methyltriazole-4-carboxamide
SMILESCOc1cccc(N(C)C(=O)c2cn(C3CNC3)nn2)c1
InChIInChI=1S/C14H17N5O2/c1-18(10-4-3-5-12(6-10)21-2)14(20)13-9-19(17-16-13)11-7-15-8-11/h3-6,9,11,15H,7-8H2,1-2H3
InChIKeyRWSPWUWZZVYINL-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.71
Rot. Bonds4

About 1-(azetidin-3-yl)-N-(3-methoxyphenyl)-N-methyltriazole-4-carboxamide

1-(azetidin-3-yl)-N-(3-methoxyphenyl)-N-methyltriazole-4-carboxamide (PubChem CID 79318707) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-N-(3-methoxyphenyl)-N-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(azetidin-3-yl)-N-(3-methoxyphenyl)-N-methyltriazole-4-carboxamide
PubChem CID79318707
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name1-(azetidin-3-yl)-N-(3-methoxyphenyl)-N-methyltriazole-4-carboxamide
SMILESCOc1cccc(N(C)C(=O)c2cn(C3CNC3)nn2)c1
InChIInChI=1S/C14H17N5O2/c1-18(10-4-3-5-12(6-10)21-2)14(20)13-9-19(17-16-13)11-7-15-8-11/h3-6,9,11,15H,7-8H2,1-2H3
InChIKeyRWSPWUWZZVYINL-UHFFFAOYSA-N
XLogP0.71
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(azetidin-3-yl)-N-methyl-N-(2-methylphenyl)triazole-4-carboxamide
CID 79316298
2-(azetidin-3-yl)-N-(3-methoxyphenyl)-N-methylpropanamide
CID 116677580
(3S,4S)-N-(3-methoxyphenyl)-N,4-dimethylpyrrolidine-3-carboxamide
CID 114084877
1-(azetidin-3-yl)-N-(4-methoxyphenyl)triazole-4-carboxamide
CID 79316576
1-[1-(azetidin-3-yl)triazol-4-yl]-3-(4-methoxyphenyl)propan-1-one
CID 116590562
2-[[1-(azetidin-3-yl)triazole-4-carbonyl]-methylamino]butanoic acid
CID 79317005
1-(azetidin-3-yl)-N,N-bis(2-methoxyethyl)triazole-4-carboxamide
CID 79317057
4-methoxy-N-(3-methoxyphenyl)-N-methylbenzamide
CID 23508483
1-(azetidin-3-yl)-N-(3-hydroxypropyl)-N-methyltriazole-4-carboxamide
CID 114230177
[1-(azetidin-3-yl)triazol-4-yl]-naphthalen-1-ylmethanone
CID 116590778
[1-(azetidin-3-yl)triazol-4-yl]-(3-fluorophenyl)methanone
CID 116590706
1-(azetidin-3-yl)-N-(1-cyanopropan-2-yl)-N-methyltriazole-4-carboxamide
CID 79316224

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-N-(3-methoxyphenyl)-N-methyltriazole-4-carboxamide?
The IUPAC name of 1-(azetidin-3-yl)-N-(3-methoxyphenyl)-N-methyltriazole-4-carboxamide (CID 79318707) is 1-(azetidin-3-yl)-N-(3-methoxyphenyl)-N-methyltriazole-4-carboxamide.
What is the SMILES notation for 1-(azetidin-3-yl)-N-(3-methoxyphenyl)-N-methyltriazole-4-carboxamide?
The canonical SMILES for 1-(azetidin-3-yl)-N-(3-methoxyphenyl)-N-methyltriazole-4-carboxamide is COc1cccc(N(C)C(=O)c2cn(C3CNC3)nn2)c1.
What is the InChIKey of 1-(azetidin-3-yl)-N-(3-methoxyphenyl)-N-methyltriazole-4-carboxamide?
The InChIKey is RWSPWUWZZVYINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-18(10-4-3-5-12(6-10)21-2)14(20)13-9-19(17-16-13)11-7-15-8-11/h3-6,9,11,15H,7-8H2,1-2H3.
What are the key properties of 1-(azetidin-3-yl)-N-(3-methoxyphenyl)-N-methyltriazole-4-carboxamide?
1-(azetidin-3-yl)-N-(3-methoxyphenyl)-N-methyltriazole-4-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-N-(3-methoxyphenyl)-N-methyltriazole-4-carboxamide is sourced from PubChem (CID 79318707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).