(3R)-1-[5-(2,2-dimethylcyclohexyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine

C15H27N5 — CID 107176930

IUPAC(3R)-1-[5-(2,2-dimethylcyclohexyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
SMILESC[C@@H]1CN(c2n[nH]c(C3CCCCC3(C)C)n2)CCN1
InChIInChI=1S/C15H27N5/c1-11-10-20(9-8-16-11)14-17-13(18-19-14)12-6-4-5-7-15(12,2)3/h11-12,16H,4-10H2,1-3H3,(H,17,18,19)/t11-,12?/m1/s1
InChIKeyGCQDFEMOOHCHCZ-JHJMLUEUSA-N
MW277.42 g/mol
LogP2.29
Rot. Bonds2

About (3R)-1-[5-(2,2-dimethylcyclohexyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine

(3R)-1-[5-(2,2-dimethylcyclohexyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine (PubChem CID 107176930) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is (3R)-1-[5-(2,2-dimethylcyclohexyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine.

Molecular Properties

Compound Name(3R)-1-[5-(2,2-dimethylcyclohexyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
PubChem CID107176930
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name(3R)-1-[5-(2,2-dimethylcyclohexyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
SMILESC[C@@H]1CN(c2n[nH]c(C3CCCCC3(C)C)n2)CCN1
InChIInChI=1S/C15H27N5/c1-11-10-20(9-8-16-11)14-17-13(18-19-14)12-6-4-5-7-15(12,2)3/h11-12,16H,4-10H2,1-3H3,(H,17,18,19)/t11-,12?/m1/s1
InChIKeyGCQDFEMOOHCHCZ-JHJMLUEUSA-N
XLogP2.29
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-1-[5-(2,2-dimethylcyclohexyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine with MolForge

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Related Compounds

1-[5-(2,2-dimethylcyclopentyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 107176924
(3S)-1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-3-methylpiperazine
CID 102797916
(3R)-3-methyl-1-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102797516
1-[5-(2-cyclohexylethyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102798194
(3S)-1-[5-(2-cyclohexylethyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102797846
(3R)-1-(5-tert-butyl-1H-1,2,4-triazol-3-yl)-3-methylpiperazine
CID 102797674
1-[5-(1-cyclopropylethyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102798474
(3R)-1-[5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102797726
3-methyl-1-[5-(oxan-2-ylmethyl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102798480
(3S)-3-methyl-1-[5-(oxan-2-ylmethyl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102798140
1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-3,5-dimethylpiperazine
CID 102797265
3-cyclopropyl-5-(2,2-dimethylcyclopentyl)-1H-1,2,4-triazole
CID 107180038

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[5-(2,2-dimethylcyclohexyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine?
The IUPAC name of (3R)-1-[5-(2,2-dimethylcyclohexyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine (CID 107176930) is (3R)-1-[5-(2,2-dimethylcyclohexyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine.
What is the SMILES notation for (3R)-1-[5-(2,2-dimethylcyclohexyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine?
The canonical SMILES for (3R)-1-[5-(2,2-dimethylcyclohexyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine is C[C@@H]1CN(c2n[nH]c(C3CCCCC3(C)C)n2)CCN1.
What is the InChIKey of (3R)-1-[5-(2,2-dimethylcyclohexyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine?
The InChIKey is GCQDFEMOOHCHCZ-JHJMLUEUSA-N. The full InChI is InChI=1S/C15H27N5/c1-11-10-20(9-8-16-11)14-17-13(18-19-14)12-6-4-5-7-15(12,2)3/h11-12,16H,4-10H2,1-3H3,(H,17,18,19)/t11-,12?/m1/s1.
What are the key properties of (3R)-1-[5-(2,2-dimethylcyclohexyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine?
(3R)-1-[5-(2,2-dimethylcyclohexyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine has a molecular weight of 277.42 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[5-(2,2-dimethylcyclohexyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine is sourced from PubChem (CID 107176930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).