5-amino-N-(5-chloro-2-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]triazole-4-carboxamide

C18H18ClN5O3 — CID 2135888

IUPAC5-amino-N-(5-chloro-2-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]triazole-4-carboxamide
SMILESCOc1cccc(Cn2nnc(C(=O)Nc3cc(Cl)ccc3OC)c2N)c1
InChIInChI=1S/C18H18ClN5O3/c1-26-13-5-3-4-11(8-13)10-24-17(20)16(22-23-24)18(25)21-14-9-12(19)6-7-15(14)27-2/h3-9H,10,20H2,1-2H3,(H,21,25)
InChIKeyPETABCGTHAVCGD-UHFFFAOYSA-N
MW387.83 g/mol
LogP2.83
Rot. Bonds6

About 5-amino-N-(5-chloro-2-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]triazole-4-carboxamide

5-amino-N-(5-chloro-2-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]triazole-4-carboxamide (PubChem CID 2135888) has the molecular formula C18H18ClN5O3 and a molecular weight of 387.83 g/mol. Its IUPAC name is 5-amino-N-(5-chloro-2-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(5-chloro-2-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]triazole-4-carboxamide
PubChem CID2135888
Molecular FormulaC18H18ClN5O3
Molecular Weight387.83 g/mol
Exact Mass387.11
IUPAC Name5-amino-N-(5-chloro-2-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]triazole-4-carboxamide
SMILESCOc1cccc(Cn2nnc(C(=O)Nc3cc(Cl)ccc3OC)c2N)c1
InChIInChI=1S/C18H18ClN5O3/c1-26-13-5-3-4-11(8-13)10-24-17(20)16(22-23-24)18(25)21-14-9-12(19)6-7-15(14)27-2/h3-9H,10,20H2,1-2H3,(H,21,25)
InChIKeyPETABCGTHAVCGD-UHFFFAOYSA-N
XLogP2.83
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.83
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-amino-N-(5-chloro-2-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]triazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(5-chloro-2-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]triazole-4-carboxamide?
The IUPAC name of 5-amino-N-(5-chloro-2-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]triazole-4-carboxamide (CID 2135888) is 5-amino-N-(5-chloro-2-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]triazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(5-chloro-2-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]triazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(5-chloro-2-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]triazole-4-carboxamide is COc1cccc(Cn2nnc(C(=O)Nc3cc(Cl)ccc3OC)c2N)c1.
What is the InChIKey of 5-amino-N-(5-chloro-2-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]triazole-4-carboxamide?
The InChIKey is PETABCGTHAVCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O3/c1-26-13-5-3-4-11(8-13)10-24-17(20)16(22-23-24)18(25)21-14-9-12(19)6-7-15(14)27-2/h3-9H,10,20H2,1-2H3,(H,21,25).
What are the key properties of 5-amino-N-(5-chloro-2-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]triazole-4-carboxamide?
5-amino-N-(5-chloro-2-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]triazole-4-carboxamide has a molecular weight of 387.83 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(5-chloro-2-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 2135888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).