N-methyl-1-(3-methylphenyl)-N-(1-methylpyrrolidin-3-yl)-5-phenyl-1,2,4-triazole-3-carboxamide

C22H25N5O — CID 42692790

IUPACN-methyl-1-(3-methylphenyl)-N-(1-methylpyrrolidin-3-yl)-5-phenyl-1,2,4-triazole-3-carboxamide
SMILESCc1cccc(-n2nc(C(=O)N(C)C3CCN(C)C3)nc2-c2ccccc2)c1
InChIInChI=1S/C22H25N5O/c1-16-8-7-11-18(14-16)27-21(17-9-5-4-6-10-17)23-20(24-27)22(28)26(3)19-12-13-25(2)15-19/h4-11,14,19H,12-13,15H2,1-3H3
InChIKeyQWEWYUXAYXMCDO-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.02
Rot. Bonds4

About N-methyl-1-(3-methylphenyl)-N-(1-methylpyrrolidin-3-yl)-5-phenyl-1,2,4-triazole-3-carboxamide

N-methyl-1-(3-methylphenyl)-N-(1-methylpyrrolidin-3-yl)-5-phenyl-1,2,4-triazole-3-carboxamide (PubChem CID 42692790) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is N-methyl-1-(3-methylphenyl)-N-(1-methylpyrrolidin-3-yl)-5-phenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(3-methylphenyl)-N-(1-methylpyrrolidin-3-yl)-5-phenyl-1,2,4-triazole-3-carboxamide
PubChem CID42692790
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC NameN-methyl-1-(3-methylphenyl)-N-(1-methylpyrrolidin-3-yl)-5-phenyl-1,2,4-triazole-3-carboxamide
SMILESCc1cccc(-n2nc(C(=O)N(C)C3CCN(C)C3)nc2-c2ccccc2)c1
InChIInChI=1S/C22H25N5O/c1-16-8-7-11-18(14-16)27-21(17-9-5-4-6-10-17)23-20(24-27)22(28)26(3)19-12-13-25(2)15-19/h4-11,14,19H,12-13,15H2,1-3H3
InChIKeyQWEWYUXAYXMCDO-UHFFFAOYSA-N
XLogP3.02
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,5-dimethyl-N-(1-methylpyrrolidin-3-yl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 42692565
5-(furan-3-yl)-N-methyl-1-(4-methylphenyl)-N-(1-methylpyrrolidin-3-yl)-1,2,4-triazole-3-carboxamide
CID 42692951
N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-1-(3-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 42880927
1-(3-methylphenyl)-5-phenyl-N-propyl-1,2,4-triazole-3-carboxamide
CID 50745472
[4-(2-methoxyethyl)piperazin-1-yl]-[1-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]methanone
CID 42880923
1-(3-methylphenyl)-N-(2-methylpropyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 42692739
1,5-bis(3-methylphenyl)-1,2,4-triazole-3-carboxamide
CID 13292301
[1-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
CID 42692766
N,N-dimethyl-2-[4-[5-phenyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carbonyl]piperazin-1-yl]acetamide
CID 43020034
1-(3-methylphenyl)-5-phenyl-N-(4-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide
CID 42692774
3-azabicyclo[3.1.0]hexan-3-yl-[5-phenyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methanone
CID 166246807
3-fluoro-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 99939542

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methylphenyl)-N-(1-methylpyrrolidin-3-yl)-5-phenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-methyl-1-(3-methylphenyl)-N-(1-methylpyrrolidin-3-yl)-5-phenyl-1,2,4-triazole-3-carboxamide (CID 42692790) is N-methyl-1-(3-methylphenyl)-N-(1-methylpyrrolidin-3-yl)-5-phenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-methyl-1-(3-methylphenyl)-N-(1-methylpyrrolidin-3-yl)-5-phenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-methyl-1-(3-methylphenyl)-N-(1-methylpyrrolidin-3-yl)-5-phenyl-1,2,4-triazole-3-carboxamide is Cc1cccc(-n2nc(C(=O)N(C)C3CCN(C)C3)nc2-c2ccccc2)c1.
What is the InChIKey of N-methyl-1-(3-methylphenyl)-N-(1-methylpyrrolidin-3-yl)-5-phenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is QWEWYUXAYXMCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-16-8-7-11-18(14-16)27-21(17-9-5-4-6-10-17)23-20(24-27)22(28)26(3)19-12-13-25(2)15-19/h4-11,14,19H,12-13,15H2,1-3H3.
What are the key properties of N-methyl-1-(3-methylphenyl)-N-(1-methylpyrrolidin-3-yl)-5-phenyl-1,2,4-triazole-3-carboxamide?
N-methyl-1-(3-methylphenyl)-N-(1-methylpyrrolidin-3-yl)-5-phenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 375.48 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methylphenyl)-N-(1-methylpyrrolidin-3-yl)-5-phenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 42692790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).