N-(cyclopropylmethyl)-1-(4-fluorophenyl)-N,5-dimethyl-1,2,4-triazole-3-carboxamide

C15H17FN4O — CID 71940416

IUPACN-(cyclopropylmethyl)-1-(4-fluorophenyl)-N,5-dimethyl-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)N(C)CC2CC2)nn1-c1ccc(F)cc1
InChIInChI=1S/C15H17FN4O/c1-10-17-14(15(21)19(2)9-11-3-4-11)18-20(10)13-7-5-12(16)6-8-13/h5-8,11H,3-4,9H2,1-2H3
InChIKeyMQVVBAYMOZCADI-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.20
Rot. Bonds4

About N-(cyclopropylmethyl)-1-(4-fluorophenyl)-N,5-dimethyl-1,2,4-triazole-3-carboxamide

N-(cyclopropylmethyl)-1-(4-fluorophenyl)-N,5-dimethyl-1,2,4-triazole-3-carboxamide (PubChem CID 71940416) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(4-fluorophenyl)-N,5-dimethyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(4-fluorophenyl)-N,5-dimethyl-1,2,4-triazole-3-carboxamide
PubChem CID71940416
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC NameN-(cyclopropylmethyl)-1-(4-fluorophenyl)-N,5-dimethyl-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)N(C)CC2CC2)nn1-c1ccc(F)cc1
InChIInChI=1S/C15H17FN4O/c1-10-17-14(15(21)19(2)9-11-3-4-11)18-20(10)13-7-5-12(16)6-8-13/h5-8,11H,3-4,9H2,1-2H3
InChIKeyMQVVBAYMOZCADI-UHFFFAOYSA-N
XLogP2.20
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(4-fluorophenyl)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,2,4-triazole-3-carboxamide
CID 94489794
1-(4-fluorophenyl)-N,5-dimethyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1,2,4-triazole-3-carboxamide
CID 94474514
[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-[1-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanone
CID 9490031
N-[(2-ethylpyrazol-3-yl)methyl]-1-(4-fluorophenyl)-N,5-dimethyl-1,2,4-triazole-3-carboxamide
CID 126807350
1-(4-fluorophenyl)-N-[(2S)-1-methoxypropan-2-yl]-N,5-dimethyl-1,2,4-triazole-3-carboxamide
CID 94031179
[1-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 92518956
1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylate
CID 7018908
[1-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]-pyrrolidin-1-ylmethanone
CID 51246088
1-(4-fluorophenyl)-N-[1-(4-methoxyphenyl)ethyl]-N,5-dimethyl-1,2,4-triazole-3-carboxamide
CID 42944993
[1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylate
CID 42920958
1-(4-chlorophenyl)-N-(cyclopropylmethyl)-5-methyl-N-(1-phenylethyl)-1,2,4-triazole-3-carboxamide
CID 86876173
1-[4-[1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]piperazin-1-yl]ethanone
CID 47014485

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(4-fluorophenyl)-N,5-dimethyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-(4-fluorophenyl)-N,5-dimethyl-1,2,4-triazole-3-carboxamide (CID 71940416) is N-(cyclopropylmethyl)-1-(4-fluorophenyl)-N,5-dimethyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(4-fluorophenyl)-N,5-dimethyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-(4-fluorophenyl)-N,5-dimethyl-1,2,4-triazole-3-carboxamide is Cc1nc(C(=O)N(C)CC2CC2)nn1-c1ccc(F)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-1-(4-fluorophenyl)-N,5-dimethyl-1,2,4-triazole-3-carboxamide?
The InChIKey is MQVVBAYMOZCADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c1-10-17-14(15(21)19(2)9-11-3-4-11)18-20(10)13-7-5-12(16)6-8-13/h5-8,11H,3-4,9H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-1-(4-fluorophenyl)-N,5-dimethyl-1,2,4-triazole-3-carboxamide?
N-(cyclopropylmethyl)-1-(4-fluorophenyl)-N,5-dimethyl-1,2,4-triazole-3-carboxamide has a molecular weight of 288.33 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(4-fluorophenyl)-N,5-dimethyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 71940416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).