6-N-methyl-8-N-[(2-methylpyrazol-3-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine

C12H15N7 — CID 80829727

IUPAC6-N-methyl-8-N-[(2-methylpyrazol-3-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine
SMILESCNc1cn2ccnc2c(NCc2ccnn2C)n1
InChIInChI=1S/C12H15N7/c1-13-10-8-19-6-5-14-12(19)11(17-10)15-7-9-3-4-16-18(9)2/h3-6,8,13H,7H2,1-2H3,(H,15,17)
InChIKeyICFGEJFCARHRJL-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.12
Rot. Bonds4

About 6-N-methyl-8-N-[(2-methylpyrazol-3-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine

6-N-methyl-8-N-[(2-methylpyrazol-3-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine (PubChem CID 80829727) has the molecular formula C12H15N7 and a molecular weight of 257.30 g/mol. Its IUPAC name is 6-N-methyl-8-N-[(2-methylpyrazol-3-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine.

Molecular Properties

Compound Name6-N-methyl-8-N-[(2-methylpyrazol-3-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine
PubChem CID80829727
Molecular FormulaC12H15N7
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name6-N-methyl-8-N-[(2-methylpyrazol-3-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine
SMILESCNc1cn2ccnc2c(NCc2ccnn2C)n1
InChIInChI=1S/C12H15N7/c1-13-10-8-19-6-5-14-12(19)11(17-10)15-7-9-3-4-16-18(9)2/h3-6,8,13H,7H2,1-2H3,(H,15,17)
InChIKeyICFGEJFCARHRJL-UHFFFAOYSA-N
XLogP1.12
TPSA72.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-8-N-[(2-methylpyrazol-3-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine?
The IUPAC name of 6-N-methyl-8-N-[(2-methylpyrazol-3-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine (CID 80829727) is 6-N-methyl-8-N-[(2-methylpyrazol-3-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine.
What is the SMILES notation for 6-N-methyl-8-N-[(2-methylpyrazol-3-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine?
The canonical SMILES for 6-N-methyl-8-N-[(2-methylpyrazol-3-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine is CNc1cn2ccnc2c(NCc2ccnn2C)n1.
What is the InChIKey of 6-N-methyl-8-N-[(2-methylpyrazol-3-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine?
The InChIKey is ICFGEJFCARHRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N7/c1-13-10-8-19-6-5-14-12(19)11(17-10)15-7-9-3-4-16-18(9)2/h3-6,8,13H,7H2,1-2H3,(H,15,17).
What are the key properties of 6-N-methyl-8-N-[(2-methylpyrazol-3-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine?
6-N-methyl-8-N-[(2-methylpyrazol-3-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine has a molecular weight of 257.30 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-8-N-[(2-methylpyrazol-3-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine is sourced from PubChem (CID 80829727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).