3-methylpyrrolo[2,1-c][1,2,4]triazine

C7H7N3 — CID 58661804

IUPAC3-methylpyrrolo[2,1-c][1,2,4]triazine
SMILESCc1cn2cccc2nn1
InChIInChI=1S/C7H7N3/c1-6-5-10-4-2-3-7(10)9-8-6/h2-5H,1H3
InChIKeyHSNADAQXGQFCHK-UHFFFAOYSA-N
MW133.15 g/mol
LogP1.04
Rot. Bonds

About 3-methylpyrrolo[2,1-c][1,2,4]triazine

3-methylpyrrolo[2,1-c][1,2,4]triazine (PubChem CID 58661804) has the molecular formula C7H7N3 and a molecular weight of 133.15 g/mol. Its IUPAC name is 3-methylpyrrolo[2,1-c][1,2,4]triazine.

Molecular Properties

Compound Name3-methylpyrrolo[2,1-c][1,2,4]triazine
PubChem CID58661804
Molecular FormulaC7H7N3
Molecular Weight133.15 g/mol
Exact Mass133.06
IUPAC Name3-methylpyrrolo[2,1-c][1,2,4]triazine
SMILESCc1cn2cccc2nn1
InChIInChI=1S/C7H7N3/c1-6-5-10-4-2-3-7(10)9-8-6/h2-5H,1H3
InChIKeyHSNADAQXGQFCHK-UHFFFAOYSA-N
XLogP1.04
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methylpyrrolo[2,1-c][1,2,4]triazine?
The IUPAC name of 3-methylpyrrolo[2,1-c][1,2,4]triazine (CID 58661804) is 3-methylpyrrolo[2,1-c][1,2,4]triazine.
What is the SMILES notation for 3-methylpyrrolo[2,1-c][1,2,4]triazine?
The canonical SMILES for 3-methylpyrrolo[2,1-c][1,2,4]triazine is Cc1cn2cccc2nn1.
What is the InChIKey of 3-methylpyrrolo[2,1-c][1,2,4]triazine?
The InChIKey is HSNADAQXGQFCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3/c1-6-5-10-4-2-3-7(10)9-8-6/h2-5H,1H3.
What are the key properties of 3-methylpyrrolo[2,1-c][1,2,4]triazine?
3-methylpyrrolo[2,1-c][1,2,4]triazine has a molecular weight of 133.15 g/mol, XLogP of 1.04, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpyrrolo[2,1-c][1,2,4]triazine is sourced from PubChem (CID 58661804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).