2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-pyrazol-1-ylpyrazine

C15H18N8 — CID 56815169

IUPAC2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-pyrazol-1-ylpyrazine
SMILESCn1cnnc1C1CCN(c2cncc(-n3cccn3)n2)CC1
InChIInChI=1S/C15H18N8/c1-21-11-17-20-15(21)12-3-7-22(8-4-12)13-9-16-10-14(19-13)23-6-2-5-18-23/h2,5-6,9-12H,3-4,7-8H2,1H3
InChIKeyOVLAFJGWAHXUSP-UHFFFAOYSA-N
MW310.37 g/mol
LogP1.17
Rot. Bonds3

About 2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-pyrazol-1-ylpyrazine

2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-pyrazol-1-ylpyrazine (PubChem CID 56815169) has the molecular formula C15H18N8 and a molecular weight of 310.37 g/mol. Its IUPAC name is 2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-pyrazol-1-ylpyrazine.

Molecular Properties

Compound Name2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-pyrazol-1-ylpyrazine
PubChem CID56815169
Molecular FormulaC15H18N8
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC Name2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-pyrazol-1-ylpyrazine
SMILESCn1cnnc1C1CCN(c2cncc(-n3cccn3)n2)CC1
InChIInChI=1S/C15H18N8/c1-21-11-17-20-15(21)12-3-7-22(8-4-12)13-9-16-10-14(19-13)23-6-2-5-18-23/h2,5-6,9-12H,3-4,7-8H2,1H3
InChIKeyOVLAFJGWAHXUSP-UHFFFAOYSA-N
XLogP1.17
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-pyrazol-1-ylpyrazine 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

4-(1H-imidazol-1-yl)-1-(2-(piperidin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidine
CID 71226084
N,N-dimethyl-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-3-amine
CID 176142001
5-(3-azabicyclo[3.1.0]hexan-3-yl)-N,N-dimethylpyrazolo[1,5-a]pyrimidin-3-amine
CID 176142022
N,N-dimethyl-5-(3-methylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-amine
CID 176142026
5-(3-Azabicyclo[3.1.0]hexan-3-yl)pyrazolo[1,5-a]pyrimidin-3-amine
CID 176142041
2-(4-{1-[3-(1H-pyrazol-1-yl)propyl]-3-pyrrolidinyl}-1-piperidinyl)pyrimidine
CID 45250907
7-(2-methyl-1H-imidazol-1-yl)-5-(1-pyrrolidinyl)pyrazolo[1,5-a]pyrimidine
CID 53183291
1-[(1-Methylimidazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)piperidine
CID 56780345
N-methyl-2-{4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}pyrimidin-4-amine
CID 70707182
2-(4-{5-[(dimethylamino)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}piperidin-1-yl)-N-methylpyrimidin-4-amine
CID 70734973
1-[4-cyclopropyl-5-(1-pyrimidin-2-ylpiperidin-4-yl)-4H-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine
CID 70745589
2-{4-[4-methyl-5-(piperidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}pyrimidin-4-amine
CID 70779369

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-pyrazol-1-ylpyrazine?
The IUPAC name of 2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-pyrazol-1-ylpyrazine (CID 56815169) is 2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-pyrazol-1-ylpyrazine.
What is the SMILES notation for 2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-pyrazol-1-ylpyrazine?
The canonical SMILES for 2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-pyrazol-1-ylpyrazine is Cn1cnnc1C1CCN(c2cncc(-n3cccn3)n2)CC1.
What is the InChIKey of 2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-pyrazol-1-ylpyrazine?
The InChIKey is OVLAFJGWAHXUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N8/c1-21-11-17-20-15(21)12-3-7-22(8-4-12)13-9-16-10-14(19-13)23-6-2-5-18-23/h2,5-6,9-12H,3-4,7-8H2,1H3.
What are the key properties of 2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-pyrazol-1-ylpyrazine?
2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-pyrazol-1-ylpyrazine has a molecular weight of 310.37 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-pyrazol-1-ylpyrazine is sourced from PubChem (CID 56815169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).