N-(1-aminopropan-2-yl)-1-[4-(difluoromethoxy)phenyl]-N,5-dimethyltriazole-4-carboxamide

C15H19F2N5O2 — CID 119584203

IUPACN-(1-aminopropan-2-yl)-1-[4-(difluoromethoxy)phenyl]-N,5-dimethyltriazole-4-carboxamide
SMILESCc1c(C(=O)N(C)C(C)CN)nnn1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H19F2N5O2/c1-9(8-18)21(3)14(23)13-10(2)22(20-19-13)11-4-6-12(7-5-11)24-15(16)17/h4-7,9,15H,8,18H2,1-3H3
InChIKeyQFQHZUAXACTGMT-UHFFFAOYSA-N
MW339.35 g/mol
LogP1.60
Rot. Bonds6

About N-(1-aminopropan-2-yl)-1-[4-(difluoromethoxy)phenyl]-N,5-dimethyltriazole-4-carboxamide

N-(1-aminopropan-2-yl)-1-[4-(difluoromethoxy)phenyl]-N,5-dimethyltriazole-4-carboxamide (PubChem CID 119584203) has the molecular formula C15H19F2N5O2 and a molecular weight of 339.35 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-1-[4-(difluoromethoxy)phenyl]-N,5-dimethyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-1-[4-(difluoromethoxy)phenyl]-N,5-dimethyltriazole-4-carboxamide
PubChem CID119584203
Molecular FormulaC15H19F2N5O2
Molecular Weight339.35 g/mol
Exact Mass339.15
IUPAC NameN-(1-aminopropan-2-yl)-1-[4-(difluoromethoxy)phenyl]-N,5-dimethyltriazole-4-carboxamide
SMILESCc1c(C(=O)N(C)C(C)CN)nnn1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H19F2N5O2/c1-9(8-18)21(3)14(23)13-10(2)22(20-19-13)11-4-6-12(7-5-11)24-15(16)17/h4-7,9,15H,8,18H2,1-3H3
InChIKeyQFQHZUAXACTGMT-UHFFFAOYSA-N
XLogP1.60
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[1-[4-(difluoromethoxy)phenyl]-5-methyltriazole-4-carbonyl]-methylamino]acetic acid
CID 119172030
N-(3-amino-2,2-dimethylpropyl)-1-[4-(difluoromethoxy)phenyl]-N,5-dimethyltriazole-4-carboxamide;hydrochloride
CID 119655867
1-[4-(difluoromethoxy)phenyl]-N,5-dimethyl-N-phenyltriazole-4-carboxamide
CID 16654306
2-[[1-[4-(difluoromethoxy)phenyl]-5-methyltriazole-4-carbonyl]-propylamino]acetic acid
CID 119205070
1-[4-(difluoromethoxy)phenyl]-5-methyl-N-[2-(methylamino)ethyl]triazole-4-carboxamide;hydrochloride
CID 119503210
N-(1-amino-2-methylpropan-2-yl)-1-[4-(difluoromethoxy)phenyl]-5-methyltriazole-4-carboxamide
CID 119524142
1-[4-(difluoromethoxy)phenyl]-5-methyl-N-[3-(methylamino)propyl]triazole-4-carboxamide;hydrochloride
CID 119433022
N-benzyl-1-[4-(difluoromethoxy)phenyl]-5-methyltriazole-4-carboxamide
CID 16654263
1-[4-(difluoromethoxy)phenyl]-5-methyl-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide;hydrochloride
CID 119532288
N-(2-amino-1-cyclohexylethyl)-1-[4-(difluoromethoxy)phenyl]-5-methyltriazole-4-carboxamide;hydrochloride
CID 119591344
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-[4-(difluoromethoxy)phenyl]-5-methyltriazol-4-yl]methanone;hydrochloride
CID 120809826
1-[4-(difluoromethoxy)phenyl]-5-ethyltriazole-4-carboxylic acid
CID 43328693

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-1-[4-(difluoromethoxy)phenyl]-N,5-dimethyltriazole-4-carboxamide?
The IUPAC name of N-(1-aminopropan-2-yl)-1-[4-(difluoromethoxy)phenyl]-N,5-dimethyltriazole-4-carboxamide (CID 119584203) is N-(1-aminopropan-2-yl)-1-[4-(difluoromethoxy)phenyl]-N,5-dimethyltriazole-4-carboxamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-1-[4-(difluoromethoxy)phenyl]-N,5-dimethyltriazole-4-carboxamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-1-[4-(difluoromethoxy)phenyl]-N,5-dimethyltriazole-4-carboxamide is Cc1c(C(=O)N(C)C(C)CN)nnn1-c1ccc(OC(F)F)cc1.
What is the InChIKey of N-(1-aminopropan-2-yl)-1-[4-(difluoromethoxy)phenyl]-N,5-dimethyltriazole-4-carboxamide?
The InChIKey is QFQHZUAXACTGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N5O2/c1-9(8-18)21(3)14(23)13-10(2)22(20-19-13)11-4-6-12(7-5-11)24-15(16)17/h4-7,9,15H,8,18H2,1-3H3.
What are the key properties of N-(1-aminopropan-2-yl)-1-[4-(difluoromethoxy)phenyl]-N,5-dimethyltriazole-4-carboxamide?
N-(1-aminopropan-2-yl)-1-[4-(difluoromethoxy)phenyl]-N,5-dimethyltriazole-4-carboxamide has a molecular weight of 339.35 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-1-[4-(difluoromethoxy)phenyl]-N,5-dimethyltriazole-4-carboxamide is sourced from PubChem (CID 119584203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).