7-(4-methylcyclohexen-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

C13H16N4 — CID 131980519

IUPAC7-(4-methylcyclohexen-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCC1CC=C(c2ccc3c(N)ncnn23)CC1
InChIInChI=1S/C13H16N4/c1-9-2-4-10(5-3-9)11-6-7-12-13(14)15-8-16-17(11)12/h4,6-9H,2-3,5H2,1H3,(H2,14,15,16)
InChIKeyCQAOJZMOEANUSB-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.51
Rot. Bonds1

About 7-(4-methylcyclohexen-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

7-(4-methylcyclohexen-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 131980519) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 7-(4-methylcyclohexen-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name7-(4-methylcyclohexen-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID131980519
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name7-(4-methylcyclohexen-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCC1CC=C(c2ccc3c(N)ncnn23)CC1
InChIInChI=1S/C13H16N4/c1-9-2-4-10(5-3-9)11-6-7-12-13(14)15-8-16-17(11)12/h4,6-9H,2-3,5H2,1H3,(H2,14,15,16)
InChIKeyCQAOJZMOEANUSB-UHFFFAOYSA-N
XLogP2.51
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methylcyclohexen-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 7-(4-methylcyclohexen-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 131980519) is 7-(4-methylcyclohexen-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 7-(4-methylcyclohexen-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 7-(4-methylcyclohexen-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is CC1CC=C(c2ccc3c(N)ncnn23)CC1.
What is the InChIKey of 7-(4-methylcyclohexen-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is CQAOJZMOEANUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-9-2-4-10(5-3-9)11-6-7-12-13(14)15-8-16-17(11)12/h4,6-9H,2-3,5H2,1H3,(H2,14,15,16).
What are the key properties of 7-(4-methylcyclohexen-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
7-(4-methylcyclohexen-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 228.30 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylcyclohexen-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 131980519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).