N-(2-methoxy-4-methylphenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

C14H15N5O — CID 58328709

IUPACN-(2-methoxy-4-methylphenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCOc1cc(C)ccc1Nc1nccn2c(C)nnc12
InChIInChI=1S/C14H15N5O/c1-9-4-5-11(12(8-9)20-3)16-13-14-18-17-10(2)19(14)7-6-15-13/h4-8H,1-3H3,(H,15,16)
InChIKeyPVWVQVBTVDPCLJ-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.49
Rot. Bonds3

About N-(2-methoxy-4-methylphenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

N-(2-methoxy-4-methylphenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 58328709) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is N-(2-methoxy-4-methylphenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-(2-methoxy-4-methylphenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID58328709
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC NameN-(2-methoxy-4-methylphenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCOc1cc(C)ccc1Nc1nccn2c(C)nnc12
InChIInChI=1S/C14H15N5O/c1-9-4-5-11(12(8-9)20-3)16-13-14-18-17-10(2)19(14)7-6-15-13/h4-8H,1-3H3,(H,15,16)
InChIKeyPVWVQVBTVDPCLJ-UHFFFAOYSA-N
XLogP2.49
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 58328545
3-methyl-N-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 58328736
8-N-(5-chloro-2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine
CID 53260636
3-N-methyl-8-N-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine
CID 58328691
N-(3-chloro-2,2-dimethylcyclobutyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 114632035
N-(2-chlorophenyl)-2-methoxy-4-methylaniline
CID 142713030
N-(3-ethoxycyclobutyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 102609179
N-but-3-en-2-yl-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 115692073
N-[2-(furan-2-yl)-2-methoxyethyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 172904499
[8-(3-methylanilino)-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-propan-2-ylcarbamic acid
CID 67250361
3-bromo-N-(2-methoxy-5-methylphenyl)-4-methylpyridin-2-amine
CID 106876474
N-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)morpholin-4-amine
CID 83025883

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4-methylphenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of N-(2-methoxy-4-methylphenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 58328709) is N-(2-methoxy-4-methylphenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for N-(2-methoxy-4-methylphenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for N-(2-methoxy-4-methylphenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is COc1cc(C)ccc1Nc1nccn2c(C)nnc12.
What is the InChIKey of N-(2-methoxy-4-methylphenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is PVWVQVBTVDPCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-9-4-5-11(12(8-9)20-3)16-13-14-18-17-10(2)19(14)7-6-15-13/h4-8H,1-3H3,(H,15,16).
What are the key properties of N-(2-methoxy-4-methylphenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
N-(2-methoxy-4-methylphenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 269.31 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4-methylphenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 58328709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).