(2S)-1-[(2S)-4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-methylpiperazin-1-yl]propan-2-ol

C15H27N5O — CID 98767218

IUPAC(2S)-1-[(2S)-4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-methylpiperazin-1-yl]propan-2-ol
SMILESC[C@H](O)CN1CCN(Cc2nnc(C3CC3)n2C)C[C@@H]1C
InChIInChI=1S/C15H27N5O/c1-11-8-19(6-7-20(11)9-12(2)21)10-14-16-17-15(18(14)3)13-4-5-13/h11-13,21H,4-10H2,1-3H3/t11-,12-/m0/s1
InChIKeyANAAIIHXTGGSOM-RYUDHWBXSA-N
MW293.41 g/mol
LogP0.58
Rot. Bonds5

About (2S)-1-[(2S)-4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-methylpiperazin-1-yl]propan-2-ol

(2S)-1-[(2S)-4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-methylpiperazin-1-yl]propan-2-ol (PubChem CID 98767218) has the molecular formula C15H27N5O and a molecular weight of 293.41 g/mol. Its IUPAC name is (2S)-1-[(2S)-4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-methylpiperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(2S)-4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-methylpiperazin-1-yl]propan-2-ol
PubChem CID98767218
Molecular FormulaC15H27N5O
Molecular Weight293.41 g/mol
Exact Mass293.22
IUPAC Name(2S)-1-[(2S)-4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-methylpiperazin-1-yl]propan-2-ol
SMILESC[C@H](O)CN1CCN(Cc2nnc(C3CC3)n2C)C[C@@H]1C
InChIInChI=1S/C15H27N5O/c1-11-8-19(6-7-20(11)9-12(2)21)10-14-16-17-15(18(14)3)13-4-5-13/h11-13,21H,4-10H2,1-3H3/t11-,12-/m0/s1
InChIKeyANAAIIHXTGGSOM-RYUDHWBXSA-N
XLogP0.58
TPSA57.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-1-[(2R)-4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 124836078
(2S)-1-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propan-2-ol
CID 124776706
2-[(2R)-4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-methylpiperazin-1-yl]-4-methyl-1,3-thiazole
CID 98763683
(2R)-1-[(2S)-2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-2-ol
CID 98763698
(2R)-1-[(2R)-2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95602161
(2R)-1-[(2R)-2-methyl-4-(2-pyridin-4-ylethyl)piperazin-1-yl]propan-2-ol
CID 95610921
(2R)-1-[(2S)-2-methyl-4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]propan-2-ol
CID 95766441
4-[(3S)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]butan-1-ol
CID 100842695
(2R)-1-[(2R)-2-methyl-4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95602343
(2R)-1-[(2S)-2-methyl-4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95602344
4-[5-(azepan-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylpiperidine-1-carboxamide
CID 70753601
(2S)-1-[(2S)-4-[[1-(2-fluoro-5-methylphenyl)tetrazol-5-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 98765550

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-methylpiperazin-1-yl]propan-2-ol?
The IUPAC name of (2S)-1-[(2S)-4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-methylpiperazin-1-yl]propan-2-ol (CID 98767218) is (2S)-1-[(2S)-4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-methylpiperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-[(2S)-4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-methylpiperazin-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1-[(2S)-4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-methylpiperazin-1-yl]propan-2-ol is C[C@H](O)CN1CCN(Cc2nnc(C3CC3)n2C)C[C@@H]1C.
What is the InChIKey of (2S)-1-[(2S)-4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-methylpiperazin-1-yl]propan-2-ol?
The InChIKey is ANAAIIHXTGGSOM-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H27N5O/c1-11-8-19(6-7-20(11)9-12(2)21)10-14-16-17-15(18(14)3)13-4-5-13/h11-13,21H,4-10H2,1-3H3/t11-,12-/m0/s1.
What are the key properties of (2S)-1-[(2S)-4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-methylpiperazin-1-yl]propan-2-ol?
(2S)-1-[(2S)-4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-methylpiperazin-1-yl]propan-2-ol has a molecular weight of 293.41 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-methylpiperazin-1-yl]propan-2-ol is sourced from PubChem (CID 98767218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).