(2R)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol

C15H27N5O — CID 95610396

IUPAC(2R)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol
SMILESCc1nnc2n1CCN(C[C@H](O)CN1CCC(C)CC1)C2
InChIInChI=1S/C15H27N5O/c1-12-3-5-18(6-4-12)9-14(21)10-19-7-8-20-13(2)16-17-15(20)11-19/h12,14,21H,3-11H2,1-2H3/t14-/m1/s1
InChIKeyVURQJJPTARSWOH-CQSZACIVSA-N
MW293.41 g/mol
LogP0.49
Rot. Bonds4

About (2R)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol

(2R)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol (PubChem CID 95610396) has the molecular formula C15H27N5O and a molecular weight of 293.41 g/mol. Its IUPAC name is (2R)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol
PubChem CID95610396
Molecular FormulaC15H27N5O
Molecular Weight293.41 g/mol
Exact Mass293.22
IUPAC Name(2R)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol
SMILESCc1nnc2n1CCN(C[C@H](O)CN1CCC(C)CC1)C2
InChIInChI=1S/C15H27N5O/c1-12-3-5-18(6-4-12)9-14(21)10-19-7-8-20-13(2)16-17-15(20)11-19/h12,14,21H,3-11H2,1-2H3/t14-/m1/s1
InChIKeyVURQJJPTARSWOH-CQSZACIVSA-N
XLogP0.49
TPSA57.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol?
The IUPAC name of (2R)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol (CID 95610396) is (2R)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol?
The canonical SMILES for (2R)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol is Cc1nnc2n1CCN(C[C@H](O)CN1CCC(C)CC1)C2.
What is the InChIKey of (2R)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol?
The InChIKey is VURQJJPTARSWOH-CQSZACIVSA-N. The full InChI is InChI=1S/C15H27N5O/c1-12-3-5-18(6-4-12)9-14(21)10-19-7-8-20-13(2)16-17-15(20)11-19/h12,14,21H,3-11H2,1-2H3/t14-/m1/s1.
What are the key properties of (2R)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol?
(2R)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol has a molecular weight of 293.41 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 95610396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).