N-(1-amino-2-methylpropan-2-yl)-1-(3-chloro-4-fluorophenyl)-5-methyltriazole-4-carboxamide

C14H17ClFN5O — CID 119524638

IUPACN-(1-amino-2-methylpropan-2-yl)-1-(3-chloro-4-fluorophenyl)-5-methyltriazole-4-carboxamide
SMILESCc1c(C(=O)NC(C)(C)CN)nnn1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H17ClFN5O/c1-8-12(13(22)18-14(2,3)7-17)19-20-21(8)9-4-5-11(16)10(15)6-9/h4-6H,7,17H2,1-3H3,(H,18,22)
InChIKeyYSOSQXCIHZFROV-UHFFFAOYSA-N
MW325.78 g/mol
LogP1.84
Rot. Bonds4

About N-(1-amino-2-methylpropan-2-yl)-1-(3-chloro-4-fluorophenyl)-5-methyltriazole-4-carboxamide

N-(1-amino-2-methylpropan-2-yl)-1-(3-chloro-4-fluorophenyl)-5-methyltriazole-4-carboxamide (PubChem CID 119524638) has the molecular formula C14H17ClFN5O and a molecular weight of 325.78 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-1-(3-chloro-4-fluorophenyl)-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-1-(3-chloro-4-fluorophenyl)-5-methyltriazole-4-carboxamide
PubChem CID119524638
Molecular FormulaC14H17ClFN5O
Molecular Weight325.78 g/mol
Exact Mass325.11
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-1-(3-chloro-4-fluorophenyl)-5-methyltriazole-4-carboxamide
SMILESCc1c(C(=O)NC(C)(C)CN)nnn1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H17ClFN5O/c1-8-12(13(22)18-14(2,3)7-17)19-20-21(8)9-4-5-11(16)10(15)6-9/h4-6H,7,17H2,1-3H3,(H,18,22)
InChIKeyYSOSQXCIHZFROV-UHFFFAOYSA-N
XLogP1.84
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.78
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-2-methylpropyl)-1-(3-chloro-4-fluorophenyl)-5-methyltriazole-4-carboxamide;hydrochloride
CID 119996110
N-(3-amino-2,2-dimethylpropyl)-1-(3-chloro-4-fluorophenyl)-N,5-dimethyltriazole-4-carboxamide
CID 119656440
N-(1-amino-2-methylpropan-2-yl)-1-[4-(difluoromethoxy)phenyl]-5-methyltriazole-4-carboxamide
CID 119524142
1-(3-chloro-4-fluorophenyl)-N-(3-chlorophenyl)-5-methyltriazole-4-carboxamide
CID 58191737
1-(3-chloro-4-fluorophenyl)-5-methyl-N-(1,3,4-thiadiazol-2-yl)triazole-4-carboxamide
CID 71878033
cis-(1R,3S)-3-[[1-(3-chloro-4-fluorophenyl)-5-methyltriazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120677527
methyl 5-amino-1-(3-chloro-4-fluorophenyl)triazole-4-carboxylate
CID 82195428
1-(3-chloro-4-fluorophenyl)-5-methyl-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide
CID 120576465
2-[[1-(3-chloro-4-fluorophenyl)-5-methyltriazole-4-carbonyl]-propylamino]acetic acid
CID 119205061
1-(3-chloro-4-methylphenyl)-5-methyltriazole-4-carboxamide
CID 82198923
ethyl 1-(3,4-difluorophenyl)-5-methyltriazole-4-carboxylate
CID 58191733
N-(4-chlorophenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 2141048

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-1-(3-chloro-4-fluorophenyl)-5-methyltriazole-4-carboxamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-1-(3-chloro-4-fluorophenyl)-5-methyltriazole-4-carboxamide (CID 119524638) is N-(1-amino-2-methylpropan-2-yl)-1-(3-chloro-4-fluorophenyl)-5-methyltriazole-4-carboxamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-1-(3-chloro-4-fluorophenyl)-5-methyltriazole-4-carboxamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-1-(3-chloro-4-fluorophenyl)-5-methyltriazole-4-carboxamide is Cc1c(C(=O)NC(C)(C)CN)nnn1-c1ccc(F)c(Cl)c1.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-1-(3-chloro-4-fluorophenyl)-5-methyltriazole-4-carboxamide?
The InChIKey is YSOSQXCIHZFROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFN5O/c1-8-12(13(22)18-14(2,3)7-17)19-20-21(8)9-4-5-11(16)10(15)6-9/h4-6H,7,17H2,1-3H3,(H,18,22).
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-1-(3-chloro-4-fluorophenyl)-5-methyltriazole-4-carboxamide?
N-(1-amino-2-methylpropan-2-yl)-1-(3-chloro-4-fluorophenyl)-5-methyltriazole-4-carboxamide has a molecular weight of 325.78 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-1-(3-chloro-4-fluorophenyl)-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 119524638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).