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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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).