N-[4-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)-2-methylphenyl]-3-(1,2,4-triazol-1-yl)propanamide

C19H20N8O — CID 92612777

IUPACN-[4-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)-2-methylphenyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESCc1cc(-c2cn3nc(C)c(C)nc3n2)ccc1NC(=O)CCn1cncn1
InChIInChI=1S/C19H20N8O/c1-12-8-15(17-9-27-19(24-17)22-13(2)14(3)25-27)4-5-16(12)23-18(28)6-7-26-11-20-10-21-26/h4-5,8-11H,6-7H2,1-3H3,(H,23,28)
InChIKeyFXVFNISXXWTARQ-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.34
Rot. Bonds5

About N-[4-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)-2-methylphenyl]-3-(1,2,4-triazol-1-yl)propanamide

N-[4-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)-2-methylphenyl]-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 92612777) has the molecular formula C19H20N8O and a molecular weight of 376.42 g/mol. Its IUPAC name is N-[4-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)-2-methylphenyl]-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[4-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)-2-methylphenyl]-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID92612777
Molecular FormulaC19H20N8O
Molecular Weight376.42 g/mol
Exact Mass376.18
IUPAC NameN-[4-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)-2-methylphenyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESCc1cc(-c2cn3nc(C)c(C)nc3n2)ccc1NC(=O)CCn1cncn1
InChIInChI=1S/C19H20N8O/c1-12-8-15(17-9-27-19(24-17)22-13(2)14(3)25-27)4-5-16(12)23-18(28)6-7-26-11-20-10-21-26/h4-5,8-11H,6-7H2,1-3H3,(H,23,28)
InChIKeyFXVFNISXXWTARQ-UHFFFAOYSA-N
XLogP2.34
TPSA102.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[3-methyl-4-[3-(1,2,4-triazol-1-yl)propanoylamino]phenoxy]acetic acid
CID 119231845
N-(4-chloro-2-fluorophenyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 24663704
N-[4-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)phenyl]acetamide
CID 46981353
4-chloro-2-[3-(1,2,4-triazol-1-yl)propanoylamino]benzoic acid
CID 28789404
N-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 47137005
N-(2,5-dimethoxyphenyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 24663723
N-(2-chloro-5-iodophenyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 113255623
N-(5-bromo-2-methoxyphenyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 47317633
4-bromo-3-[3-(1,2,4-triazol-1-yl)propanoylamino]benzoic acid
CID 107812375
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(1,2,4-triazol-1-yl)propanamide
CID 134036011
3-[3-methyl-4-[[2-(1,2,4-triazol-1-yl)acetyl]amino]phenyl]prop-2-enoic acid
CID 76907460
N'-[2-(3,5-dimethylphenoxy)acetyl]-3-(1,2,4-triazol-1-yl)propanehydrazide
CID 134024169

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)-2-methylphenyl]-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[4-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)-2-methylphenyl]-3-(1,2,4-triazol-1-yl)propanamide (CID 92612777) is N-[4-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)-2-methylphenyl]-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[4-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)-2-methylphenyl]-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[4-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)-2-methylphenyl]-3-(1,2,4-triazol-1-yl)propanamide is Cc1cc(-c2cn3nc(C)c(C)nc3n2)ccc1NC(=O)CCn1cncn1.
What is the InChIKey of N-[4-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)-2-methylphenyl]-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is FXVFNISXXWTARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N8O/c1-12-8-15(17-9-27-19(24-17)22-13(2)14(3)25-27)4-5-16(12)23-18(28)6-7-26-11-20-10-21-26/h4-5,8-11H,6-7H2,1-3H3,(H,23,28).
What are the key properties of N-[4-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)-2-methylphenyl]-3-(1,2,4-triazol-1-yl)propanamide?
N-[4-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)-2-methylphenyl]-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 376.42 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)-2-methylphenyl]-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 92612777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).