4-amino-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylbenzamide

C13H16N6O — CID 64575387

IUPAC4-amino-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)c(N2CCn3cnnc3C2)c1
InChIInChI=1S/C13H16N6O/c1-15-13(20)9-2-3-10(14)11(6-9)18-4-5-19-8-16-17-12(19)7-18/h2-3,6,8H,4-5,7,14H2,1H3,(H,15,20)
InChIKeyFJNRSZWUKRGXFU-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.24
Rot. Bonds2

About 4-amino-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylbenzamide

4-amino-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylbenzamide (PubChem CID 64575387) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is 4-amino-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylbenzamide
PubChem CID64575387
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name4-amino-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)c(N2CCn3cnnc3C2)c1
InChIInChI=1S/C13H16N6O/c1-15-13(20)9-2-3-10(14)11(6-9)18-4-5-19-8-16-17-12(19)7-18/h2-3,6,8H,4-5,7,14H2,1H3,(H,15,20)
InChIKeyFJNRSZWUKRGXFU-UHFFFAOYSA-N
XLogP0.24
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[4-amino-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]carbamate
CID 114199928
4-amino-3-(azocan-1-yl)-N-methylbenzamide
CID 63356679
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-methylbenzoic acid
CID 64575249
4-amino-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzamide
CID 63356456
4-amino-3-(3-ethyl-4-methylpiperazin-1-yl)-N-methylbenzamide
CID 63611183
4-amino-3-(7,7-dimethyl-1,4-thiazepan-4-yl)-N-methylbenzamide
CID 107452858
3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pyridine-4-carboxylic acid
CID 113269753
5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)quinolin-8-amine
CID 64575770
4-amino-3-(3,3-dimethylmorpholin-4-yl)-N-methylbenzamide
CID 63356955
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-6-methoxypyridin-3-amine
CID 113286582
3-bromo-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)benzohydrazide
CID 102774711
1-[3-bromo-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]-N-methylethanamine
CID 64577052

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylbenzamide?
The IUPAC name of 4-amino-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylbenzamide (CID 64575387) is 4-amino-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylbenzamide.
What is the SMILES notation for 4-amino-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylbenzamide?
The canonical SMILES for 4-amino-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylbenzamide is CNC(=O)c1ccc(N)c(N2CCn3cnnc3C2)c1.
What is the InChIKey of 4-amino-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylbenzamide?
The InChIKey is FJNRSZWUKRGXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c1-15-13(20)9-2-3-10(14)11(6-9)18-4-5-19-8-16-17-12(19)7-18/h2-3,6,8H,4-5,7,14H2,1H3,(H,15,20).
What are the key properties of 4-amino-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylbenzamide?
4-amino-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylbenzamide has a molecular weight of 272.31 g/mol, XLogP of 0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylbenzamide is sourced from PubChem (CID 64575387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).