N-cyclopropyl-5-propyl-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]triazole-4-carboxamide

C17H18F3N5O2 — CID 86629791

IUPACN-cyclopropyl-5-propyl-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]triazole-4-carboxamide
SMILESCCCc1c(C(=O)NC2CC2)nnn1-c1ccc(NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C17H18F3N5O2/c1-2-3-13-14(15(26)21-10-4-5-10)23-24-25(13)12-8-6-11(7-9-12)22-16(27)17(18,19)20/h6-10H,2-5H2,1H3,(H,21,26)(H,22,27)
InChIKeyJKUUEQKLHCFVBK-UHFFFAOYSA-N
MW381.36 g/mol
LogP2.61
Rot. Bonds6

About N-cyclopropyl-5-propyl-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]triazole-4-carboxamide

N-cyclopropyl-5-propyl-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]triazole-4-carboxamide (PubChem CID 86629791) has the molecular formula C17H18F3N5O2 and a molecular weight of 381.36 g/mol. Its IUPAC name is N-cyclopropyl-5-propyl-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-propyl-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]triazole-4-carboxamide
PubChem CID86629791
Molecular FormulaC17H18F3N5O2
Molecular Weight381.36 g/mol
Exact Mass381.14
IUPAC NameN-cyclopropyl-5-propyl-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]triazole-4-carboxamide
SMILESCCCc1c(C(=O)NC2CC2)nnn1-c1ccc(NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C17H18F3N5O2/c1-2-3-13-14(15(26)21-10-4-5-10)23-24-25(13)12-8-6-11(7-9-12)22-16(27)17(18,19)20/h6-10H,2-5H2,1H3,(H,21,26)(H,22,27)
InChIKeyJKUUEQKLHCFVBK-UHFFFAOYSA-N
XLogP2.61
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.36
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-1-[4-(cyclopropylcarbamoyl)phenyl]-5-propyltriazole-4-carboxamide
CID 68513644
N-cyclopropyl-1-[4-(3-phenylpropylcarbamoyl)phenyl]-5-propyltriazole-4-carboxamide
CID 68519299
N-(4-aminocyclohexyl)-1-(3-chlorophenyl)-5-propyltriazole-4-carboxamide;hydrochloride
CID 119476108
N-cyclopropyl-4-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 63374815
N-cyclohexyl-1-[4-(difluoromethoxy)phenyl]-5-ethyltriazole-4-carboxamide
CID 16654299
2-[[1-(4-tert-butylphenyl)-5-propyltriazole-4-carbonyl]amino]acetic acid
CID 119350150
1-(4-methoxyphenyl)-N,5-dipropyltriazole-4-carboxamide
CID 17015604
1-(3-chlorophenyl)-N-piperidin-3-yl-5-propyltriazole-4-carboxamide
CID 119426032
N-cyclopropyl-1-[4-(ethylcarbamoyl)-2-propoxyphenyl]-5-propyltriazole-4-carboxamide
CID 68516322
N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]-5-[[2-(iodomethyl)-3-(trifluoromethyl)phenoxy]methyl]triazole-4-carboxamide
CID 89311644
1-(4-tert-butylphenyl)-N-methylsulfonyl-5-propyltriazole-4-carboxamide
CID 146154861
N-(2-fluorophenyl)-1-phenyl-5-propyltriazole-4-carboxamide
CID 17015504

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-propyl-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]triazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-5-propyl-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]triazole-4-carboxamide (CID 86629791) is N-cyclopropyl-5-propyl-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]triazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-propyl-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]triazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-5-propyl-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]triazole-4-carboxamide is CCCc1c(C(=O)NC2CC2)nnn1-c1ccc(NC(=O)C(F)(F)F)cc1.
What is the InChIKey of N-cyclopropyl-5-propyl-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]triazole-4-carboxamide?
The InChIKey is JKUUEQKLHCFVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N5O2/c1-2-3-13-14(15(26)21-10-4-5-10)23-24-25(13)12-8-6-11(7-9-12)22-16(27)17(18,19)20/h6-10H,2-5H2,1H3,(H,21,26)(H,22,27).
What are the key properties of N-cyclopropyl-5-propyl-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]triazole-4-carboxamide?
N-cyclopropyl-5-propyl-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]triazole-4-carboxamide has a molecular weight of 381.36 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-propyl-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]triazole-4-carboxamide is sourced from PubChem (CID 86629791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).