(2S)-2-methyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]piperazine

C12H23N5 — CID 82755900

IUPAC(2S)-2-methyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]piperazine
SMILESCC(C)Cn1ncnc1CN1CCNC[C@@H]1C
InChIInChI=1S/C12H23N5/c1-10(2)7-17-12(14-9-15-17)8-16-5-4-13-6-11(16)3/h9-11,13H,4-8H2,1-3H3/t11-/m0/s1
InChIKeySXFDZKGIIBPAGO-NSHDSACASA-N
MW237.35 g/mol
LogP0.73
Rot. Bonds4

About (2S)-2-methyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]piperazine

(2S)-2-methyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]piperazine (PubChem CID 82755900) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is (2S)-2-methyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]piperazine.

Molecular Properties

Compound Name(2S)-2-methyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]piperazine
PubChem CID82755900
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Name(2S)-2-methyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]piperazine
SMILESCC(C)Cn1ncnc1CN1CCNC[C@@H]1C
InChIInChI=1S/C12H23N5/c1-10(2)7-17-12(14-9-15-17)8-16-5-4-13-6-11(16)3/h9-11,13H,4-8H2,1-3H3/t11-/m0/s1
InChIKeySXFDZKGIIBPAGO-NSHDSACASA-N
XLogP0.73
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]piperazine-2-carbonitrile
CID 79086078
2-methyl-1-(2-methylpropyl)piperazine
CID 53405905
(2R)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methylpiperazine
CID 82713988
(2R)-1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperazine
CID 82761036
1-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperazine-2-carbonitrile
CID 79085778
2-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]cyclopentan-1-one
CID 79535788
5-(2,2-dimethylpropyl)-1-(2-methylpropyl)-1,2,4-triazole
CID 58157944
2,4-dichloro-5-[[(2S)-2-methylpiperazin-1-yl]methyl]pyrimidine
CID 97163380
(2S)-2-methyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]piperazine
CID 82756307
2,4-dichloro-5-[(2-methylpiperazin-1-yl)methyl]pyrimidine
CID 71639556
N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106640259
(2S)-2-methyl-1-(pyridin-4-ylmethyl)piperazine
CID 82756317

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]piperazine?
The IUPAC name of (2S)-2-methyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]piperazine (CID 82755900) is (2S)-2-methyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]piperazine.
What is the SMILES notation for (2S)-2-methyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]piperazine?
The canonical SMILES for (2S)-2-methyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]piperazine is CC(C)Cn1ncnc1CN1CCNC[C@@H]1C.
What is the InChIKey of (2S)-2-methyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]piperazine?
The InChIKey is SXFDZKGIIBPAGO-NSHDSACASA-N. The full InChI is InChI=1S/C12H23N5/c1-10(2)7-17-12(14-9-15-17)8-16-5-4-13-6-11(16)3/h9-11,13H,4-8H2,1-3H3/t11-/m0/s1.
What are the key properties of (2S)-2-methyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]piperazine?
(2S)-2-methyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]piperazine has a molecular weight of 237.35 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]piperazine is sourced from PubChem (CID 82755900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).