8-N-[(3-methyl-4-pyridinyl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine

C13H14N6 — CID 114702239

IUPAC8-N-[(3-methyl-4-pyridinyl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine
SMILESCc1cnccc1CNc1nc(N)cn2ccnc12
InChIInChI=1S/C13H14N6/c1-9-6-15-3-2-10(9)7-17-12-13-16-4-5-19(13)8-11(14)18-12/h2-6,8H,7,14H2,1H3,(H,17,18)
InChIKeyGWFVYOLPKUXFQA-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.63
Rot. Bonds3

About 8-N-[(3-methyl-4-pyridinyl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine

8-N-[(3-methyl-4-pyridinyl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine (PubChem CID 114702239) has the molecular formula C13H14N6 and a molecular weight of 254.30 g/mol. Its IUPAC name is 8-N-[(3-methyl-4-pyridinyl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine.

Molecular Properties

Compound Name8-N-[(3-methyl-4-pyridinyl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine
PubChem CID114702239
Molecular FormulaC13H14N6
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name8-N-[(3-methyl-4-pyridinyl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine
SMILESCc1cnccc1CNc1nc(N)cn2ccnc12
InChIInChI=1S/C13H14N6/c1-9-6-15-3-2-10(9)7-17-12-13-16-4-5-19(13)8-11(14)18-12/h2-6,8H,7,14H2,1H3,(H,17,18)
InChIKeyGWFVYOLPKUXFQA-UHFFFAOYSA-N
XLogP1.63
TPSA81.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-N-[(3-methyl-4-pyridinyl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine?
The IUPAC name of 8-N-[(3-methyl-4-pyridinyl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine (CID 114702239) is 8-N-[(3-methyl-4-pyridinyl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine.
What is the SMILES notation for 8-N-[(3-methyl-4-pyridinyl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine?
The canonical SMILES for 8-N-[(3-methyl-4-pyridinyl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine is Cc1cnccc1CNc1nc(N)cn2ccnc12.
What is the InChIKey of 8-N-[(3-methyl-4-pyridinyl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine?
The InChIKey is GWFVYOLPKUXFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6/c1-9-6-15-3-2-10(9)7-17-12-13-16-4-5-19(13)8-11(14)18-12/h2-6,8H,7,14H2,1H3,(H,17,18).
What are the key properties of 8-N-[(3-methyl-4-pyridinyl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine?
8-N-[(3-methyl-4-pyridinyl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine has a molecular weight of 254.30 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-[(3-methyl-4-pyridinyl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine is sourced from PubChem (CID 114702239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).