N-[2-[(4-methoxyphenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide

C20H20N6O2 — CID 118962196

IUPACN-[2-[(4-methoxyphenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide
SMILESCOc1ccc(Cn2ncc(NC(=O)Cc3ccc4c(cnn4C)c3)n2)cc1
InChIInChI=1S/C20H20N6O2/c1-25-18-8-5-15(9-16(18)11-21-25)10-20(27)23-19-12-22-26(24-19)13-14-3-6-17(28-2)7-4-14/h3-9,11-12H,10,13H2,1-2H3,(H,23,24,27)
InChIKeyIGGNUJPQPDDQPW-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.40
Rot. Bonds6

About N-[2-[(4-methoxyphenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide

N-[2-[(4-methoxyphenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide (PubChem CID 118962196) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-[2-[(4-methoxyphenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[2-[(4-methoxyphenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide
PubChem CID118962196
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC NameN-[2-[(4-methoxyphenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide
SMILESCOc1ccc(Cn2ncc(NC(=O)Cc3ccc4c(cnn4C)c3)n2)cc1
InChIInChI=1S/C20H20N6O2/c1-25-18-8-5-15(9-16(18)11-21-25)10-20(27)23-19-12-22-26(24-19)13-14-3-6-17(28-2)7-4-14/h3-9,11-12H,10,13H2,1-2H3,(H,23,24,27)
InChIKeyIGGNUJPQPDDQPW-UHFFFAOYSA-N
XLogP2.40
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

CID 11775399
CID 11775399
CID 118560290
CID 118560290
CID 118560399
CID 118560399
CID 11190261
CID 11190261
CID 59252819
CID 59252819
CID 118560394
CID 118560394
CID 118560472
CID 118560472
CID 136126577
CID 136126577
CID 118961979
CID 118961979
CID 118961986
CID 118961986
CID 118961992
CID 118961992
CID 118961993
CID 118961993

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methoxyphenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide?
The IUPAC name of N-[2-[(4-methoxyphenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide (CID 118962196) is N-[2-[(4-methoxyphenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide.
What is the SMILES notation for N-[2-[(4-methoxyphenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide?
The canonical SMILES for N-[2-[(4-methoxyphenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide is COc1ccc(Cn2ncc(NC(=O)Cc3ccc4c(cnn4C)c3)n2)cc1.
What is the InChIKey of N-[2-[(4-methoxyphenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide?
The InChIKey is IGGNUJPQPDDQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c1-25-18-8-5-15(9-16(18)11-21-25)10-20(27)23-19-12-22-26(24-19)13-14-3-6-17(28-2)7-4-14/h3-9,11-12H,10,13H2,1-2H3,(H,23,24,27).
What are the key properties of N-[2-[(4-methoxyphenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide?
N-[2-[(4-methoxyphenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide has a molecular weight of 376.42 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methoxyphenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide is sourced from PubChem (CID 118962196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).