3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)piperazine

C8H15N5 — CID 131162793

IUPAC3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)piperazine
SMILESCC1CN(c2nncn2C)CCN1
InChIInChI=1S/C8H15N5/c1-7-5-13(4-3-9-7)8-11-10-6-12(8)2/h6-7,9H,3-5H2,1-2H3
InChIKeyNGHWDFWWRGZTNC-UHFFFAOYSA-N
MW181.24 g/mol
LogP-0.39
Rot. Bonds1

About 3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)piperazine

3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)piperazine (PubChem CID 131162793) has the molecular formula C8H15N5 and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)piperazine.

Molecular Properties

Compound Name3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)piperazine
PubChem CID131162793
Molecular FormulaC8H15N5
Molecular Weight181.24 g/mol
Exact Mass181.13
IUPAC Name3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)piperazine
SMILESCC1CN(c2nncn2C)CCN1
InChIInChI=1S/C8H15N5/c1-7-5-13(4-3-9-7)8-11-10-6-12(8)2/h6-7,9H,3-5H2,1-2H3
InChIKeyNGHWDFWWRGZTNC-UHFFFAOYSA-N
XLogP-0.39
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-1-(1-methyltetrazol-5-yl)piperazine
CID 63152593
3-[(3S)-3-methylpiperazin-1-yl]pyridazine
CID 94453251
(3R)-1-(1-tert-butyltetrazol-5-yl)-3-methylpiperazine
CID 59511255
2-methyl-4,6-bis(3-methylpiperazin-1-yl)-1,3,5-triazine
CID 58012607
1-(1-cyclopropylimidazol-2-yl)-3-methylpiperazine
CID 106552943
3-methyl-6-(3-methylpiperazin-1-yl)pyridazine
CID 62478379
(2R,4R)-2-methyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 176650185
(3R)-1-(1-butylimidazol-2-yl)-3-methylpiperazine
CID 106553921
(3R)-3-methyl-1-(3-methyl-5-nitroimidazol-4-yl)piperazine
CID 94450680
1-(1-cyclopropyl-4-methylimidazol-2-yl)-3-methylpiperazine
CID 106552964
2,5-dimethyl-3-[(3S)-3-methylpiperazin-1-yl]pyrazine
CID 94450675
2,5-dimethyl-3-[(3R)-3-methylpiperazin-1-yl]pyrazine
CID 94450674

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)piperazine?
The IUPAC name of 3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)piperazine (CID 131162793) is 3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)piperazine.
What is the SMILES notation for 3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)piperazine?
The canonical SMILES for 3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)piperazine is CC1CN(c2nncn2C)CCN1.
What is the InChIKey of 3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)piperazine?
The InChIKey is NGHWDFWWRGZTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5/c1-7-5-13(4-3-9-7)8-11-10-6-12(8)2/h6-7,9H,3-5H2,1-2H3.
What are the key properties of 3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)piperazine?
3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)piperazine has a molecular weight of 181.24 g/mol, XLogP of -0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)piperazine is sourced from PubChem (CID 131162793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).