8-N-(5-chloro-2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine

C12H11ClN6O — CID 53260636

IUPAC8-N-(5-chloro-2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine
SMILESCOc1ccc(Cl)cc1Nc1nccn2c(N)nnc12
InChIInChI=1S/C12H11ClN6O/c1-20-9-3-2-7(13)6-8(9)16-10-11-17-18-12(14)19(11)5-4-15-10/h2-6H,1H3,(H2,14,18)(H,15,16)
InChIKeyXLYAVSKNEPVXHD-UHFFFAOYSA-N
MW290.71 g/mol
LogP2.11
Rot. Bonds3

About 8-N-(5-chloro-2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine

8-N-(5-chloro-2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine (PubChem CID 53260636) has the molecular formula C12H11ClN6O and a molecular weight of 290.71 g/mol. Its IUPAC name is 8-N-(5-chloro-2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine.

Molecular Properties

Compound Name8-N-(5-chloro-2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine
PubChem CID53260636
Molecular FormulaC12H11ClN6O
Molecular Weight290.71 g/mol
Exact Mass290.07
IUPAC Name8-N-(5-chloro-2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine
SMILESCOc1ccc(Cl)cc1Nc1nccn2c(N)nnc12
InChIInChI=1S/C12H11ClN6O/c1-20-9-3-2-7(13)6-8(9)16-10-11-17-18-12(14)19(11)5-4-15-10/h2-6H,1H3,(H2,14,18)(H,15,16)
InChIKeyXLYAVSKNEPVXHD-UHFFFAOYSA-N
XLogP2.11
TPSA90.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 8-N-(5-chloro-2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine with MolForge

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Related Compounds

3-N-(5-chloro-2-methoxyphenyl)pyrazine-2,3-diamine
CID 102985025
N-(5-chloro-2-methoxyphenyl)-6-hydrazinylimidazo[1,2-a]pyrazin-8-amine
CID 80912403
3-(5-chloro-2-methoxyanilino)pyrazine-2-carbonitrile
CID 62684861
N-(2-methoxy-4-methylphenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 58328709
5-amino-2-(5-chloro-2-methoxyanilino)pyridine-3-carbonitrile
CID 54860696
6-N-(4-butoxyphenyl)-4-N-(5-chloro-2-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 22545988
4-N-(5-chloro-2-methoxyphenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80763515
6-N-(2,4-dichlorophenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142724
6-N-(2,4-dichlorophenyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5,6-triamine
CID 22541920
N-[4-[[5-amino-6-(5-chloro-2-methoxyanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 22546092
5-chloro-2-methoxy-N-(2-methoxyphenyl)aniline
CID 10264756
5-chloro-2-methoxy-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)benzenesulfonamide
CID 172538327

Frequently Asked Questions

What is the IUPAC name of 8-N-(5-chloro-2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine?
The IUPAC name of 8-N-(5-chloro-2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine (CID 53260636) is 8-N-(5-chloro-2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine.
What is the SMILES notation for 8-N-(5-chloro-2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine?
The canonical SMILES for 8-N-(5-chloro-2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine is COc1ccc(Cl)cc1Nc1nccn2c(N)nnc12.
What is the InChIKey of 8-N-(5-chloro-2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine?
The InChIKey is XLYAVSKNEPVXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN6O/c1-20-9-3-2-7(13)6-8(9)16-10-11-17-18-12(14)19(11)5-4-15-10/h2-6H,1H3,(H2,14,18)(H,15,16).
What are the key properties of 8-N-(5-chloro-2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine?
8-N-(5-chloro-2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine has a molecular weight of 290.71 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-(5-chloro-2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine is sourced from PubChem (CID 53260636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).