3-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

C12H15N7 — CID 104626388

IUPAC3-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCc1nnc2c(NCCc3ccn(C)n3)nccn12
InChIInChI=1S/C12H15N7/c1-9-15-16-12-11(14-6-8-19(9)12)13-5-3-10-4-7-18(2)17-10/h4,6-8H,3,5H2,1-2H3,(H,13,14)
InChIKeyOPCPHHHPGXSUOZ-UHFFFAOYSA-N
MW257.30 g/mol
LogP0.82
Rot. Bonds4

About 3-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

3-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 104626388) has the molecular formula C12H15N7 and a molecular weight of 257.30 g/mol. Its IUPAC name is 3-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID104626388
Molecular FormulaC12H15N7
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name3-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCc1nnc2c(NCCc3ccn(C)n3)nccn12
InChIInChI=1S/C12H15N7/c1-9-15-16-12-11(14-6-8-19(9)12)13-5-3-10-4-7-18(2)17-10/h4,6-8H,3,5H2,1-2H3,(H,13,14)
InChIKeyOPCPHHHPGXSUOZ-UHFFFAOYSA-N
XLogP0.82
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine with MolForge

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Related Compounds

1-methyl-3-[2-(1-methylpyrazol-3-yl)ethylamino]pyrazin-2-one
CID 104626468
3-[2-(1-methylpyrazol-3-yl)ethylamino]-1-propan-2-ylpyrazin-2-one
CID 106105480
3-methyl-N-(3-methylsulfanylbutyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 113494041
3-chloro-5,6-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrazin-2-amine
CID 106106127
5-methyl-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,3-diamine
CID 106104117
N-[2-(1-methylpyrazol-3-yl)ethyl]-3-propan-2-yloxypyridin-2-amine
CID 106105523
N-(2-but-3-enoxyethyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 113338962
6-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridazin-3-amine
CID 106105393
6-N,2,5-trimethyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 106106808
3-bromo-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,5-diamine
CID 114143843
N-[2-(1-methylpyrazol-3-yl)ethyl]pyridazin-3-amine
CID 104626500
3,5-dichloro-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridin-2-amine
CID 114144034

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of 3-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 104626388) is 3-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for 3-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for 3-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is Cc1nnc2c(NCCc3ccn(C)n3)nccn12.
What is the InChIKey of 3-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is OPCPHHHPGXSUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N7/c1-9-15-16-12-11(14-6-8-19(9)12)13-5-3-10-4-7-18(2)17-10/h4,6-8H,3,5H2,1-2H3,(H,13,14).
What are the key properties of 3-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
3-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 257.30 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 104626388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).