5,6-dimethyl-3-pyrazol-1-yl-1,2,4-triazine

C8H9N5 — CID 114788072

IUPAC5,6-dimethyl-3-pyrazol-1-yl-1,2,4-triazine
SMILESCc1nnc(-n2cccn2)nc1C
InChIInChI=1S/C8H9N5/c1-6-7(2)11-12-8(10-6)13-5-3-4-9-13/h3-5H,1-2H3
InChIKeyJRPFMPUNEKILDY-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.67
Rot. Bonds1

About 5,6-dimethyl-3-pyrazol-1-yl-1,2,4-triazine

5,6-dimethyl-3-pyrazol-1-yl-1,2,4-triazine (PubChem CID 114788072) has the molecular formula C8H9N5 and a molecular weight of 175.19 g/mol. Its IUPAC name is 5,6-dimethyl-3-pyrazol-1-yl-1,2,4-triazine.

Molecular Properties

Compound Name5,6-dimethyl-3-pyrazol-1-yl-1,2,4-triazine
PubChem CID114788072
Molecular FormulaC8H9N5
Molecular Weight175.19 g/mol
Exact Mass175.09
IUPAC Name5,6-dimethyl-3-pyrazol-1-yl-1,2,4-triazine
SMILESCc1nnc(-n2cccn2)nc1C
InChIInChI=1S/C8H9N5/c1-6-7(2)11-12-8(10-6)13-5-3-4-9-13/h3-5H,1-2H3
InChIKeyJRPFMPUNEKILDY-UHFFFAOYSA-N
XLogP0.67
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-pyrazol-1-yl-1,2,4-triazine?
The IUPAC name of 5,6-dimethyl-3-pyrazol-1-yl-1,2,4-triazine (CID 114788072) is 5,6-dimethyl-3-pyrazol-1-yl-1,2,4-triazine.
What is the SMILES notation for 5,6-dimethyl-3-pyrazol-1-yl-1,2,4-triazine?
The canonical SMILES for 5,6-dimethyl-3-pyrazol-1-yl-1,2,4-triazine is Cc1nnc(-n2cccn2)nc1C.
What is the InChIKey of 5,6-dimethyl-3-pyrazol-1-yl-1,2,4-triazine?
The InChIKey is JRPFMPUNEKILDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5/c1-6-7(2)11-12-8(10-6)13-5-3-4-9-13/h3-5H,1-2H3.
What are the key properties of 5,6-dimethyl-3-pyrazol-1-yl-1,2,4-triazine?
5,6-dimethyl-3-pyrazol-1-yl-1,2,4-triazine has a molecular weight of 175.19 g/mol, XLogP of 0.67, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-pyrazol-1-yl-1,2,4-triazine is sourced from PubChem (CID 114788072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).