N-methyl-N-[(2S)-3-methylbutan-2-yl]imidazo[1,5-a]pyrazin-8-amine

C12H18N4 — CID 164637699

IUPACN-methyl-N-[(2S)-3-methylbutan-2-yl]imidazo[1,5-a]pyrazin-8-amine
SMILESCC(C)[C@H](C)N(C)c1nccn2cncc12
InChIInChI=1S/C12H18N4/c1-9(2)10(3)15(4)12-11-7-13-8-16(11)6-5-14-12/h5-10H,1-4H3/t10-/m0/s1
InChIKeyWDXOCOYENNTFLL-JTQLQIEISA-N
MW218.30 g/mol
LogP2.21
Rot. Bonds3

About N-methyl-N-[(2S)-3-methylbutan-2-yl]imidazo[1,5-a]pyrazin-8-amine

N-methyl-N-[(2S)-3-methylbutan-2-yl]imidazo[1,5-a]pyrazin-8-amine (PubChem CID 164637699) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is N-methyl-N-[(2S)-3-methylbutan-2-yl]imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-methyl-N-[(2S)-3-methylbutan-2-yl]imidazo[1,5-a]pyrazin-8-amine
PubChem CID164637699
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC NameN-methyl-N-[(2S)-3-methylbutan-2-yl]imidazo[1,5-a]pyrazin-8-amine
SMILESCC(C)[C@H](C)N(C)c1nccn2cncc12
InChIInChI=1S/C12H18N4/c1-9(2)10(3)15(4)12-11-7-13-8-16(11)6-5-14-12/h5-10H,1-4H3/t10-/m0/s1
InChIKeyWDXOCOYENNTFLL-JTQLQIEISA-N
XLogP2.21
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2S)-3-methylbutan-2-yl]imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of N-methyl-N-[(2S)-3-methylbutan-2-yl]imidazo[1,5-a]pyrazin-8-amine (CID 164637699) is N-methyl-N-[(2S)-3-methylbutan-2-yl]imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for N-methyl-N-[(2S)-3-methylbutan-2-yl]imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for N-methyl-N-[(2S)-3-methylbutan-2-yl]imidazo[1,5-a]pyrazin-8-amine is CC(C)[C@H](C)N(C)c1nccn2cncc12.
What is the InChIKey of N-methyl-N-[(2S)-3-methylbutan-2-yl]imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is WDXOCOYENNTFLL-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18N4/c1-9(2)10(3)15(4)12-11-7-13-8-16(11)6-5-14-12/h5-10H,1-4H3/t10-/m0/s1.
What are the key properties of N-methyl-N-[(2S)-3-methylbutan-2-yl]imidazo[1,5-a]pyrazin-8-amine?
N-methyl-N-[(2S)-3-methylbutan-2-yl]imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 218.30 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2S)-3-methylbutan-2-yl]imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 164637699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).