2-methyl-1-[5-(2-methylpyrazol-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine

C12H19N7 — CID 102798801

IUPAC2-methyl-1-[5-(2-methylpyrazol-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
SMILESCC1C(N)CCCN1c1n[nH]c(-c2ccnn2C)n1
InChIInChI=1S/C12H19N7/c1-8-9(13)4-3-7-19(8)12-15-11(16-17-12)10-5-6-14-18(10)2/h5-6,8-9H,3-4,7,13H2,1-2H3,(H,15,16,17)
InChIKeyHWJGCGGTCPQTIC-UHFFFAOYSA-N
MW261.33 g/mol
LogP0.52
Rot. Bonds2

About 2-methyl-1-[5-(2-methylpyrazol-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine

2-methyl-1-[5-(2-methylpyrazol-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine (PubChem CID 102798801) has the molecular formula C12H19N7 and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-methyl-1-[5-(2-methylpyrazol-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine.

Molecular Properties

Compound Name2-methyl-1-[5-(2-methylpyrazol-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
PubChem CID102798801
Molecular FormulaC12H19N7
Molecular Weight261.33 g/mol
Exact Mass261.17
IUPAC Name2-methyl-1-[5-(2-methylpyrazol-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
SMILESCC1C(N)CCCN1c1n[nH]c(-c2ccnn2C)n1
InChIInChI=1S/C12H19N7/c1-8-9(13)4-3-7-19(8)12-15-11(16-17-12)10-5-6-14-18(10)2/h5-6,8-9H,3-4,7,13H2,1-2H3,(H,15,16,17)
InChIKeyHWJGCGGTCPQTIC-UHFFFAOYSA-N
XLogP0.52
TPSA88.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-methyl-1-[5-(2-methylpyrazol-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[5-(2-methylpyrazol-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
The IUPAC name of 2-methyl-1-[5-(2-methylpyrazol-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine (CID 102798801) is 2-methyl-1-[5-(2-methylpyrazol-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine.
What is the SMILES notation for 2-methyl-1-[5-(2-methylpyrazol-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
The canonical SMILES for 2-methyl-1-[5-(2-methylpyrazol-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine is CC1C(N)CCCN1c1n[nH]c(-c2ccnn2C)n1.
What is the InChIKey of 2-methyl-1-[5-(2-methylpyrazol-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
The InChIKey is HWJGCGGTCPQTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7/c1-8-9(13)4-3-7-19(8)12-15-11(16-17-12)10-5-6-14-18(10)2/h5-6,8-9H,3-4,7,13H2,1-2H3,(H,15,16,17).
What are the key properties of 2-methyl-1-[5-(2-methylpyrazol-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
2-methyl-1-[5-(2-methylpyrazol-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine has a molecular weight of 261.33 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[5-(2-methylpyrazol-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine is sourced from PubChem (CID 102798801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).