7-(cyclohexen-1-yl)-2-methylpyrrolo[2,1-f][1,2,4]triazine

C13H15N3 — CID 58071340

IUPAC7-(cyclohexen-1-yl)-2-methylpyrrolo[2,1-f][1,2,4]triazine
SMILESCc1ncc2ccc(C3=CCCCC3)n2n1
InChIInChI=1S/C13H15N3/c1-10-14-9-12-7-8-13(16(12)15-10)11-5-3-2-4-6-11/h5,7-9H,2-4,6H2,1H3
InChIKeyQQVSCHPWWAJKEW-UHFFFAOYSA-N
MW213.28 g/mol
LogP3.00
Rot. Bonds1

About 7-(cyclohexen-1-yl)-2-methylpyrrolo[2,1-f][1,2,4]triazine

7-(cyclohexen-1-yl)-2-methylpyrrolo[2,1-f][1,2,4]triazine (PubChem CID 58071340) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 7-(cyclohexen-1-yl)-2-methylpyrrolo[2,1-f][1,2,4]triazine.

Molecular Properties

Compound Name7-(cyclohexen-1-yl)-2-methylpyrrolo[2,1-f][1,2,4]triazine
PubChem CID58071340
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name7-(cyclohexen-1-yl)-2-methylpyrrolo[2,1-f][1,2,4]triazine
SMILESCc1ncc2ccc(C3=CCCCC3)n2n1
InChIInChI=1S/C13H15N3/c1-10-14-9-12-7-8-13(16(12)15-10)11-5-3-2-4-6-11/h5,7-9H,2-4,6H2,1H3
InChIKeyQQVSCHPWWAJKEW-UHFFFAOYSA-N
XLogP3.00
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclohexen-1-yl)-2-methylpyrrolo[2,1-f][1,2,4]triazine?
The IUPAC name of 7-(cyclohexen-1-yl)-2-methylpyrrolo[2,1-f][1,2,4]triazine (CID 58071340) is 7-(cyclohexen-1-yl)-2-methylpyrrolo[2,1-f][1,2,4]triazine.
What is the SMILES notation for 7-(cyclohexen-1-yl)-2-methylpyrrolo[2,1-f][1,2,4]triazine?
The canonical SMILES for 7-(cyclohexen-1-yl)-2-methylpyrrolo[2,1-f][1,2,4]triazine is Cc1ncc2ccc(C3=CCCCC3)n2n1.
What is the InChIKey of 7-(cyclohexen-1-yl)-2-methylpyrrolo[2,1-f][1,2,4]triazine?
The InChIKey is QQVSCHPWWAJKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-10-14-9-12-7-8-13(16(12)15-10)11-5-3-2-4-6-11/h5,7-9H,2-4,6H2,1H3.
What are the key properties of 7-(cyclohexen-1-yl)-2-methylpyrrolo[2,1-f][1,2,4]triazine?
7-(cyclohexen-1-yl)-2-methylpyrrolo[2,1-f][1,2,4]triazine has a molecular weight of 213.28 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclohexen-1-yl)-2-methylpyrrolo[2,1-f][1,2,4]triazine is sourced from PubChem (CID 58071340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).