2,8-dimethyl-1-methylidene-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-a][1,2,4]triazine

C9H17N3 — CID 126641485

IUPAC2,8-dimethyl-1-methylidene-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-a][1,2,4]triazine
SMILESC=C1N(C)CCN2CCC(C)N12
InChIInChI=1S/C9H17N3/c1-8-4-5-11-7-6-10(3)9(2)12(8)11/h8H,2,4-7H2,1,3H3
InChIKeyHSOISMPIBAYWLN-UHFFFAOYSA-N
MW167.26 g/mol
LogP0.71
Rot. Bonds

About 2,8-dimethyl-1-methylidene-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-a][1,2,4]triazine

2,8-dimethyl-1-methylidene-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-a][1,2,4]triazine (PubChem CID 126641485) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 2,8-dimethyl-1-methylidene-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-a][1,2,4]triazine.

Molecular Properties

Compound Name2,8-dimethyl-1-methylidene-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-a][1,2,4]triazine
PubChem CID126641485
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name2,8-dimethyl-1-methylidene-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-a][1,2,4]triazine
SMILESC=C1N(C)CCN2CCC(C)N12
InChIInChI=1S/C9H17N3/c1-8-4-5-11-7-6-10(3)9(2)12(8)11/h8H,2,4-7H2,1,3H3
InChIKeyHSOISMPIBAYWLN-UHFFFAOYSA-N
XLogP0.71
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,8-dimethyl-1-methylidene-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-a][1,2,4]triazine with MolForge

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Related Compounds

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1,2-dimethyl-4-methylideneazepane
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Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-1-methylidene-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-a][1,2,4]triazine?
The IUPAC name of 2,8-dimethyl-1-methylidene-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-a][1,2,4]triazine (CID 126641485) is 2,8-dimethyl-1-methylidene-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-a][1,2,4]triazine.
What is the SMILES notation for 2,8-dimethyl-1-methylidene-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-a][1,2,4]triazine?
The canonical SMILES for 2,8-dimethyl-1-methylidene-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-a][1,2,4]triazine is C=C1N(C)CCN2CCC(C)N12.
What is the InChIKey of 2,8-dimethyl-1-methylidene-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-a][1,2,4]triazine?
The InChIKey is HSOISMPIBAYWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-8-4-5-11-7-6-10(3)9(2)12(8)11/h8H,2,4-7H2,1,3H3.
What are the key properties of 2,8-dimethyl-1-methylidene-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-a][1,2,4]triazine?
2,8-dimethyl-1-methylidene-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-a][1,2,4]triazine has a molecular weight of 167.26 g/mol, XLogP of 0.71, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-1-methylidene-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-a][1,2,4]triazine is sourced from PubChem (CID 126641485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).