(2R)-1-[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]propan-2-ol

C15H22N6O — CID 133499653

IUPAC(2R)-1-[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]propan-2-ol
SMILESC[C@@H](O)CN1CCN(c2nccn3c(C4CC4)nnc23)CC1
InChIInChI=1S/C15H22N6O/c1-11(22)10-19-6-8-20(9-7-19)14-15-18-17-13(12-2-3-12)21(15)5-4-16-14/h4-5,11-12,22H,2-3,6-10H2,1H3/t11-/m1/s1
InChIKeyCFGISAMIBQCRFX-LLVKDONJSA-N
MW302.38 g/mol
LogP0.50
Rot. Bonds4

About (2R)-1-[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]propan-2-ol

(2R)-1-[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]propan-2-ol (PubChem CID 133499653) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is (2R)-1-[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]propan-2-ol
PubChem CID133499653
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name(2R)-1-[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]propan-2-ol
SMILESC[C@@H](O)CN1CCN(c2nccn3c(C4CC4)nnc23)CC1
InChIInChI=1S/C15H22N6O/c1-11(22)10-19-6-8-20(9-7-19)14-15-18-17-13(12-2-3-12)21(15)5-4-16-14/h4-5,11-12,22H,2-3,6-10H2,1H3/t11-/m1/s1
InChIKeyCFGISAMIBQCRFX-LLVKDONJSA-N
XLogP0.50
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-cyclopropyl-8-[4-(2-phenoxyethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 133478319
3-cyclopropyl-8-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 133478743
[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-morpholin-4-ylmethanone
CID 133478952
3-cyclopropyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 91651037
3-cyclopropyl-8-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 133477979
(2R,5S)-5-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-4-yl]oxolane-2-carboxylic acid
CID 167857989
8-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazine
CID 133478394
5-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 133478990
3-cyclopropyl-N-(1-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 133477972
3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 84655220
2-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 56806210
(2S)-1-[4-[5-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]pyrazin-2-yl]piperazin-1-yl]propan-2-ol
CID 136583777

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]propan-2-ol (CID 133499653) is (2R)-1-[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]propan-2-ol is C[C@@H](O)CN1CCN(c2nccn3c(C4CC4)nnc23)CC1.
What is the InChIKey of (2R)-1-[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]propan-2-ol?
The InChIKey is CFGISAMIBQCRFX-LLVKDONJSA-N. The full InChI is InChI=1S/C15H22N6O/c1-11(22)10-19-6-8-20(9-7-19)14-15-18-17-13(12-2-3-12)21(15)5-4-16-14/h4-5,11-12,22H,2-3,6-10H2,1H3/t11-/m1/s1.
What are the key properties of (2R)-1-[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]propan-2-ol?
(2R)-1-[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]propan-2-ol has a molecular weight of 302.38 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 133499653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).