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

C11H21N5O — CID 102797520

IUPAC2-methyl-2-[3-[(3R)-3-methylpiperazin-1-yl]-1H-1,2,4-triazol-5-yl]propan-1-ol
SMILESC[C@@H]1CN(c2n[nH]c(C(C)(C)CO)n2)CCN1
InChIInChI=1S/C11H21N5O/c1-8-6-16(5-4-12-8)10-13-9(14-15-10)11(2,3)7-17/h8,12,17H,4-7H2,1-3H3,(H,13,14,15)/t8-/m1/s1
InChIKeyROSOBDQFENFALL-MRVPVSSYSA-N
MW239.32 g/mol
LogP-0.13
Rot. Bonds3

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

2-methyl-2-[3-[(3R)-3-methylpiperazin-1-yl]-1H-1,2,4-triazol-5-yl]propan-1-ol (PubChem CID 102797520) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-methyl-2-[3-[(3R)-3-methylpiperazin-1-yl]-1H-1,2,4-triazol-5-yl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[3-[(3R)-3-methylpiperazin-1-yl]-1H-1,2,4-triazol-5-yl]propan-1-ol
PubChem CID102797520
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name2-methyl-2-[3-[(3R)-3-methylpiperazin-1-yl]-1H-1,2,4-triazol-5-yl]propan-1-ol
SMILESC[C@@H]1CN(c2n[nH]c(C(C)(C)CO)n2)CCN1
InChIInChI=1S/C11H21N5O/c1-8-6-16(5-4-12-8)10-13-9(14-15-10)11(2,3)7-17/h8,12,17H,4-7H2,1-3H3,(H,13,14,15)/t8-/m1/s1
InChIKeyROSOBDQFENFALL-MRVPVSSYSA-N
XLogP-0.13
TPSA77.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-methyl-2-[3-[(3R)-3-methylpiperazin-1-yl]-1H-1,2,4-triazol-5-yl]propan-1-ol with MolForge

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Related Compounds

(3R)-1-(5-tert-butyl-1H-1,2,4-triazol-3-yl)-3-methylpiperazine
CID 102797674
2-[3-(3-aminopiperidin-1-yl)-1H-1,2,4-triazol-5-yl]-2-methylpropan-1-ol
CID 102794172
1-[5-(2-methoxybutan-2-yl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 114105463
2-[3-(4-aminopiperidin-1-yl)-1H-1,2,4-triazol-5-yl]-2-methylpropan-1-ol
CID 102793826
(3R)-1-(5-butan-2-yl-1H-1,2,4-triazol-3-yl)-3-methylpiperazine
CID 102797756
(3S)-1-[5-(2-cyclohexylethyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102797846
1-[5-(2-cyclohexylethyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102798194
(3S)-1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-3-methylpiperazine
CID 102797916
1-[5-(1-cyclopropylethyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102798474
(3S)-1-(5-heptyl-1H-1,2,4-triazol-3-yl)-3-methylpiperazine
CID 102797944
(3R)-1-(5-heptyl-1H-1,2,4-triazol-3-yl)-3-methylpiperazine
CID 102797599
1-[5-[2-(2,2-difluoroethoxy)ethyl]-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 103207019

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[3-[(3R)-3-methylpiperazin-1-yl]-1H-1,2,4-triazol-5-yl]propan-1-ol?
The IUPAC name of 2-methyl-2-[3-[(3R)-3-methylpiperazin-1-yl]-1H-1,2,4-triazol-5-yl]propan-1-ol (CID 102797520) is 2-methyl-2-[3-[(3R)-3-methylpiperazin-1-yl]-1H-1,2,4-triazol-5-yl]propan-1-ol.
What is the SMILES notation for 2-methyl-2-[3-[(3R)-3-methylpiperazin-1-yl]-1H-1,2,4-triazol-5-yl]propan-1-ol?
The canonical SMILES for 2-methyl-2-[3-[(3R)-3-methylpiperazin-1-yl]-1H-1,2,4-triazol-5-yl]propan-1-ol is C[C@@H]1CN(c2n[nH]c(C(C)(C)CO)n2)CCN1.
What is the InChIKey of 2-methyl-2-[3-[(3R)-3-methylpiperazin-1-yl]-1H-1,2,4-triazol-5-yl]propan-1-ol?
The InChIKey is ROSOBDQFENFALL-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-8-6-16(5-4-12-8)10-13-9(14-15-10)11(2,3)7-17/h8,12,17H,4-7H2,1-3H3,(H,13,14,15)/t8-/m1/s1.
What are the key properties of 2-methyl-2-[3-[(3R)-3-methylpiperazin-1-yl]-1H-1,2,4-triazol-5-yl]propan-1-ol?
2-methyl-2-[3-[(3R)-3-methylpiperazin-1-yl]-1H-1,2,4-triazol-5-yl]propan-1-ol has a molecular weight of 239.32 g/mol, XLogP of -0.13, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[3-[(3R)-3-methylpiperazin-1-yl]-1H-1,2,4-triazol-5-yl]propan-1-ol is sourced from PubChem (CID 102797520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).