N-[(4-methylmorpholin-2-yl)methyl]-1-(4-methylphenyl)triazole-4-carboxamide

C16H21N5O2 — CID 162662613

IUPACN-[(4-methylmorpholin-2-yl)methyl]-1-(4-methylphenyl)triazole-4-carboxamide
SMILESCc1ccc(-n2cc(C(=O)NCC3CN(C)CCO3)nn2)cc1
InChIInChI=1S/C16H21N5O2/c1-12-3-5-13(6-4-12)21-11-15(18-19-21)16(22)17-9-14-10-20(2)7-8-23-14/h3-6,11,14H,7-10H2,1-2H3,(H,17,22)
InChIKeyUDYUHSYHKYFDAY-UHFFFAOYSA-N
MW315.38 g/mol
LogP0.64
Rot. Bonds4

About N-[(4-methylmorpholin-2-yl)methyl]-1-(4-methylphenyl)triazole-4-carboxamide

N-[(4-methylmorpholin-2-yl)methyl]-1-(4-methylphenyl)triazole-4-carboxamide (PubChem CID 162662613) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is N-[(4-methylmorpholin-2-yl)methyl]-1-(4-methylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methylmorpholin-2-yl)methyl]-1-(4-methylphenyl)triazole-4-carboxamide
PubChem CID162662613
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC NameN-[(4-methylmorpholin-2-yl)methyl]-1-(4-methylphenyl)triazole-4-carboxamide
SMILESCc1ccc(-n2cc(C(=O)NCC3CN(C)CCO3)nn2)cc1
InChIInChI=1S/C16H21N5O2/c1-12-3-5-13(6-4-12)21-11-15(18-19-21)16(22)17-9-14-10-20(2)7-8-23-14/h3-6,11,14H,7-10H2,1-2H3,(H,17,22)
InChIKeyUDYUHSYHKYFDAY-UHFFFAOYSA-N
XLogP0.64
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-Phenyl-ethyl)-1H-[1,2,3]triazole-4-carboxylic acid (2-morpholin-4-yl-ethyl)-amide
CID 648177
1-(2-Fluoro-benzyl)-1H-[1,2,3]triazole-4-carboxylic acid [2-(4-ethyl-piperazin-1-yl)-ethyl]-amide
CID 649632
1-Phenethyl-1H-[1,2,3]triazole-4-carboxylic acid 4-(2-oxo-pyrrolidin-1-yl)-benzylamide
CID 650744
1-{[1-(cyclohexylmethyl)-1H-1,2,3-triazol-4-yl]carbonyl}-2-methyl-4-(4-methylphenyl)piperazine
CID 24818888
N-(1-cyclohexylpiperidin-4-yl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 127396636
Tert-butyl 4-[1-(4-cyano-2-fluorophenyl)triazole-4-carbonyl]piperazine-1-carboxylate
CID 155511104
Tert-butyl 4-[1-[4-(trifluoromethyl)phenyl]triazole-4-carbonyl]piperazine-1-carboxylate
CID 155530371
Tert-butyl 4-[1-[4-(trifluoromethyl)phenyl]triazole-4-carbonyl]oxypiperidine-1-carboxylate
CID 155568284
1-(4-methylphenyl)-N-(1-propan-2-ylpiperidin-4-yl)triazole-4-carboxamide
CID 162661301
1-benzyl-N-phenyltriazole-4-carboxamide
CID 16063411
1-(4-methylphenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]triazole-4-carboxamide
CID 73426114
1-(3-methylphenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]triazole-4-carboxamide
CID 73426118

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylmorpholin-2-yl)methyl]-1-(4-methylphenyl)triazole-4-carboxamide?
The IUPAC name of N-[(4-methylmorpholin-2-yl)methyl]-1-(4-methylphenyl)triazole-4-carboxamide (CID 162662613) is N-[(4-methylmorpholin-2-yl)methyl]-1-(4-methylphenyl)triazole-4-carboxamide.
What is the SMILES notation for N-[(4-methylmorpholin-2-yl)methyl]-1-(4-methylphenyl)triazole-4-carboxamide?
The canonical SMILES for N-[(4-methylmorpholin-2-yl)methyl]-1-(4-methylphenyl)triazole-4-carboxamide is Cc1ccc(-n2cc(C(=O)NCC3CN(C)CCO3)nn2)cc1.
What is the InChIKey of N-[(4-methylmorpholin-2-yl)methyl]-1-(4-methylphenyl)triazole-4-carboxamide?
The InChIKey is UDYUHSYHKYFDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-12-3-5-13(6-4-12)21-11-15(18-19-21)16(22)17-9-14-10-20(2)7-8-23-14/h3-6,11,14H,7-10H2,1-2H3,(H,17,22).
What are the key properties of N-[(4-methylmorpholin-2-yl)methyl]-1-(4-methylphenyl)triazole-4-carboxamide?
N-[(4-methylmorpholin-2-yl)methyl]-1-(4-methylphenyl)triazole-4-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylmorpholin-2-yl)methyl]-1-(4-methylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 162662613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).