1-(5-chloro-2-methoxyphenyl)-N-[2-(dimethylamino)ethyl]-5-methyltriazole-4-carboxamide

C15H20ClN5O2 — CID 46857997

IUPAC1-(5-chloro-2-methoxyphenyl)-N-[2-(dimethylamino)ethyl]-5-methyltriazole-4-carboxamide
SMILESCOc1ccc(Cl)cc1-n1nnc(C(=O)NCCN(C)C)c1C
InChIInChI=1S/C15H20ClN5O2/c1-10-14(15(22)17-7-8-20(2)3)18-19-21(10)12-9-11(16)5-6-13(12)23-4/h5-6,9H,7-8H2,1-4H3,(H,17,22)
InChIKeyHPYWZYATMXKBKZ-UHFFFAOYSA-N
MW337.81 g/mol
LogP1.53
Rot. Bonds6

About 1-(5-chloro-2-methoxyphenyl)-N-[2-(dimethylamino)ethyl]-5-methyltriazole-4-carboxamide

1-(5-chloro-2-methoxyphenyl)-N-[2-(dimethylamino)ethyl]-5-methyltriazole-4-carboxamide (PubChem CID 46857997) has the molecular formula C15H20ClN5O2 and a molecular weight of 337.81 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-N-[2-(dimethylamino)ethyl]-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-N-[2-(dimethylamino)ethyl]-5-methyltriazole-4-carboxamide
PubChem CID46857997
Molecular FormulaC15H20ClN5O2
Molecular Weight337.81 g/mol
Exact Mass337.13
IUPAC Name1-(5-chloro-2-methoxyphenyl)-N-[2-(dimethylamino)ethyl]-5-methyltriazole-4-carboxamide
SMILESCOc1ccc(Cl)cc1-n1nnc(C(=O)NCCN(C)C)c1C
InChIInChI=1S/C15H20ClN5O2/c1-10-14(15(22)17-7-8-20(2)3)18-19-21(10)12-9-11(16)5-6-13(12)23-4/h5-6,9H,7-8H2,1-4H3,(H,17,22)
InChIKeyHPYWZYATMXKBKZ-UHFFFAOYSA-N
XLogP1.53
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-N-[2-(cyclohexen-1-yl)ethyl]-5-methyltriazole-4-carboxamide
CID 46857958
1-(5-chloro-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]-5-methyltriazole-4-carboxamide
CID 46857970
1-(3-chlorophenyl)-N-[2-(dimethylamino)ethyl]-5-methyltriazole-4-carboxamide
CID 46858045
1-(5-chloro-2-methoxyphenyl)-N-cycloheptyl-5-methyltriazole-4-carboxamide
CID 46857957
N-(5-chloro-2-methylphenyl)-1-(2-methoxy-5-methylphenyl)-5-methyltriazole-4-carboxamide
CID 7184617
1-(3-chlorophenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-methyltriazole-4-carboxamide
CID 55872076
N-(3-chlorophenyl)-1-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 2141172
6-N-(5-chloro-2-methoxyphenyl)-2-N-[2-(dimethylamino)ethyl]pyridine-2,6-dicarboxamide
CID 109096371
1-(2-methoxy-5-methylphenyl)-5-methyltriazole-4-carboxamide
CID 82200726
N'-(5-chloro-2-methoxyphenyl)-N-[2-(dimethylamino)ethyl]oxamide
CID 44902655
N-[2-(dimethylamino)ethyl]-2-methoxy-5-methylbenzamide
CID 110761060
propyl 1-(5-chloro-2-methylphenyl)-5-methyltriazole-4-carboxylate
CID 43836328

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N-[2-(dimethylamino)ethyl]-5-methyltriazole-4-carboxamide?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N-[2-(dimethylamino)ethyl]-5-methyltriazole-4-carboxamide (CID 46857997) is 1-(5-chloro-2-methoxyphenyl)-N-[2-(dimethylamino)ethyl]-5-methyltriazole-4-carboxamide.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-N-[2-(dimethylamino)ethyl]-5-methyltriazole-4-carboxamide?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-N-[2-(dimethylamino)ethyl]-5-methyltriazole-4-carboxamide is COc1ccc(Cl)cc1-n1nnc(C(=O)NCCN(C)C)c1C.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-N-[2-(dimethylamino)ethyl]-5-methyltriazole-4-carboxamide?
The InChIKey is HPYWZYATMXKBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5O2/c1-10-14(15(22)17-7-8-20(2)3)18-19-21(10)12-9-11(16)5-6-13(12)23-4/h5-6,9H,7-8H2,1-4H3,(H,17,22).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-N-[2-(dimethylamino)ethyl]-5-methyltriazole-4-carboxamide?
1-(5-chloro-2-methoxyphenyl)-N-[2-(dimethylamino)ethyl]-5-methyltriazole-4-carboxamide has a molecular weight of 337.81 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-N-[2-(dimethylamino)ethyl]-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 46857997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).