N-(2-cyclopropyl-2-methoxypropyl)-3-(2,6-dichlorophenyl)triazole-4-carboxamide

C16H18Cl2N4O2 — CID 139004724

IUPACN-(2-cyclopropyl-2-methoxypropyl)-3-(2,6-dichlorophenyl)triazole-4-carboxamide
SMILESCOC(C)(CNC(=O)c1cnnn1-c1c(Cl)cccc1Cl)C1CC1
InChIInChI=1S/C16H18Cl2N4O2/c1-16(24-2,10-6-7-10)9-19-15(23)13-8-20-21-22(13)14-11(17)4-3-5-12(14)18/h3-5,8,10H,6-7,9H2,1-2H3,(H,19,23)
InChIKeyNYNZCHKCKQRUBF-UHFFFAOYSA-N
MW369.25 g/mol
LogP3.12
Rot. Bonds6

About N-(2-cyclopropyl-2-methoxypropyl)-3-(2,6-dichlorophenyl)triazole-4-carboxamide

N-(2-cyclopropyl-2-methoxypropyl)-3-(2,6-dichlorophenyl)triazole-4-carboxamide (PubChem CID 139004724) has the molecular formula C16H18Cl2N4O2 and a molecular weight of 369.25 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-methoxypropyl)-3-(2,6-dichlorophenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-methoxypropyl)-3-(2,6-dichlorophenyl)triazole-4-carboxamide
PubChem CID139004724
Molecular FormulaC16H18Cl2N4O2
Molecular Weight369.25 g/mol
Exact Mass368.08
IUPAC NameN-(2-cyclopropyl-2-methoxypropyl)-3-(2,6-dichlorophenyl)triazole-4-carboxamide
SMILESCOC(C)(CNC(=O)c1cnnn1-c1c(Cl)cccc1Cl)C1CC1
InChIInChI=1S/C16H18Cl2N4O2/c1-16(24-2,10-6-7-10)9-19-15(23)13-8-20-21-22(13)14-11(17)4-3-5-12(14)18/h3-5,8,10H,6-7,9H2,1-2H3,(H,19,23)
InChIKeyNYNZCHKCKQRUBF-UHFFFAOYSA-N
XLogP3.12
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.25
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(4-chlorophenyl)pyrazol-3-yl]-3-(2-cyclopropyl-2-methoxypropyl)urea
CID 146135202
4-[3-(2,6-dichlorophenyl)triazole-4-carbonyl]-6-methylpiperazin-2-one
CID 146130559
2-chloro-N-(2-cyclopropyl-2-hydroxypropyl)-6-fluorobenzamide
CID 52992747
N-(2-amino-2-methylpropyl)-1-(2,6-dichlorophenyl)-5-ethyl-1,2,4-triazole-3-carboxamide;hydrochloride
CID 119626727
1-(2-cyclopropyl-2-methoxypropyl)-3-[5-(2-methylfuran-3-yl)-1,2-oxazol-3-yl]urea
CID 167976831
3-[[1-(2,6-dichlorophenyl)-5-ethyl-1,2,4-triazole-3-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 119249708
2-(2-chloro-6-fluorophenyl)-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]acetamide
CID 99873881
N-(1-amino-2-methylpropan-2-yl)-1-(2,6-dichlorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 119525130
5-bromo-2-chloro-N-(2-cyclopropyl-2-hydroxypropyl)benzamide
CID 90499338
N-[2-(aminomethyl)cyclohexyl]-1-(2,6-dichlorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide;hydrochloride
CID 119612506
3-chloro-4-(3-hydroxyprop-1-ynyl)-N-(2-methoxy-2-methylpropyl)benzamide
CID 104764860
methyl 2-(2-amino-3-chlorophenyl)-3-cyclopentylpropanoate
CID 106987579

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-methoxypropyl)-3-(2,6-dichlorophenyl)triazole-4-carboxamide?
The IUPAC name of N-(2-cyclopropyl-2-methoxypropyl)-3-(2,6-dichlorophenyl)triazole-4-carboxamide (CID 139004724) is N-(2-cyclopropyl-2-methoxypropyl)-3-(2,6-dichlorophenyl)triazole-4-carboxamide.
What is the SMILES notation for N-(2-cyclopropyl-2-methoxypropyl)-3-(2,6-dichlorophenyl)triazole-4-carboxamide?
The canonical SMILES for N-(2-cyclopropyl-2-methoxypropyl)-3-(2,6-dichlorophenyl)triazole-4-carboxamide is COC(C)(CNC(=O)c1cnnn1-c1c(Cl)cccc1Cl)C1CC1.
What is the InChIKey of N-(2-cyclopropyl-2-methoxypropyl)-3-(2,6-dichlorophenyl)triazole-4-carboxamide?
The InChIKey is NYNZCHKCKQRUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N4O2/c1-16(24-2,10-6-7-10)9-19-15(23)13-8-20-21-22(13)14-11(17)4-3-5-12(14)18/h3-5,8,10H,6-7,9H2,1-2H3,(H,19,23).
What are the key properties of N-(2-cyclopropyl-2-methoxypropyl)-3-(2,6-dichlorophenyl)triazole-4-carboxamide?
N-(2-cyclopropyl-2-methoxypropyl)-3-(2,6-dichlorophenyl)triazole-4-carboxamide has a molecular weight of 369.25 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-methoxypropyl)-3-(2,6-dichlorophenyl)triazole-4-carboxamide is sourced from PubChem (CID 139004724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).