(1-methylimidazol-2-yl)-[(5S)-3-methyl-5-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

C15H22N6O — CID 164693743

IUPAC(1-methylimidazol-2-yl)-[(5S)-3-methyl-5-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCc1nnc2n1[C@@H](CC(C)C)CN(C(=O)c1nccn1C)C2
InChIInChI=1S/C15H22N6O/c1-10(2)7-12-8-20(9-13-18-17-11(3)21(12)13)15(22)14-16-5-6-19(14)4/h5-6,10,12H,7-9H2,1-4H3/t12-/m0/s1
InChIKeyKXMPIYQIJVSLCK-LBPRGKRZSA-N
MW302.38 g/mol
LogP1.56
Rot. Bonds3

About (1-methylimidazol-2-yl)-[(5S)-3-methyl-5-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

(1-methylimidazol-2-yl)-[(5S)-3-methyl-5-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 164693743) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is (1-methylimidazol-2-yl)-[(5S)-3-methyl-5-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name(1-methylimidazol-2-yl)-[(5S)-3-methyl-5-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
PubChem CID164693743
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name(1-methylimidazol-2-yl)-[(5S)-3-methyl-5-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCc1nnc2n1[C@@H](CC(C)C)CN(C(=O)c1nccn1C)C2
InChIInChI=1S/C15H22N6O/c1-10(2)7-12-8-20(9-13-18-17-11(3)21(12)13)15(22)14-16-5-6-19(14)4/h5-6,10,12H,7-9H2,1-4H3/t12-/m0/s1
InChIKeyKXMPIYQIJVSLCK-LBPRGKRZSA-N
XLogP1.56
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-2-yl)-[(5S)-3-methyl-5-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The IUPAC name of (1-methylimidazol-2-yl)-[(5S)-3-methyl-5-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 164693743) is (1-methylimidazol-2-yl)-[(5S)-3-methyl-5-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.
What is the SMILES notation for (1-methylimidazol-2-yl)-[(5S)-3-methyl-5-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The canonical SMILES for (1-methylimidazol-2-yl)-[(5S)-3-methyl-5-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is Cc1nnc2n1[C@@H](CC(C)C)CN(C(=O)c1nccn1C)C2.
What is the InChIKey of (1-methylimidazol-2-yl)-[(5S)-3-methyl-5-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The InChIKey is KXMPIYQIJVSLCK-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N6O/c1-10(2)7-12-8-20(9-13-18-17-11(3)21(12)13)15(22)14-16-5-6-19(14)4/h5-6,10,12H,7-9H2,1-4H3/t12-/m0/s1.
What are the key properties of (1-methylimidazol-2-yl)-[(5S)-3-methyl-5-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
(1-methylimidazol-2-yl)-[(5S)-3-methyl-5-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 302.38 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-2-yl)-[(5S)-3-methyl-5-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 164693743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).