3-cyclohexyl-6-methyl-4H-pyrazino[2,1-c][1,2,4]triazin-9-amine

C13H19N5 — CID 139313929

IUPAC3-cyclohexyl-6-methyl-4H-pyrazino[2,1-c][1,2,4]triazin-9-amine
SMILESCC1=CN=C(N)C2=NN=C(C3CCCCC3)CN12
InChIInChI=1S/C13H19N5/c1-9-7-15-12(14)13-17-16-11(8-18(9)13)10-5-3-2-4-6-10/h7,10H,2-6,8H2,1H3,(H2,14,15)
InChIKeyXKPVZNZMTPYJCD-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.87
Rot. Bonds1

About 3-cyclohexyl-6-methyl-4H-pyrazino[2,1-c][1,2,4]triazin-9-amine

3-cyclohexyl-6-methyl-4H-pyrazino[2,1-c][1,2,4]triazin-9-amine (PubChem CID 139313929) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-cyclohexyl-6-methyl-4H-pyrazino[2,1-c][1,2,4]triazin-9-amine.

Molecular Properties

Compound Name3-cyclohexyl-6-methyl-4H-pyrazino[2,1-c][1,2,4]triazin-9-amine
PubChem CID139313929
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name3-cyclohexyl-6-methyl-4H-pyrazino[2,1-c][1,2,4]triazin-9-amine
SMILESCC1=CN=C(N)C2=NN=C(C3CCCCC3)CN12
InChIInChI=1S/C13H19N5/c1-9-7-15-12(14)13-17-16-11(8-18(9)13)10-5-3-2-4-6-10/h7,10H,2-6,8H2,1H3,(H2,14,15)
InChIKeyXKPVZNZMTPYJCD-UHFFFAOYSA-N
XLogP1.87
TPSA66.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-6-methyl-4H-pyrazino[2,1-c][1,2,4]triazin-9-amine?
The IUPAC name of 3-cyclohexyl-6-methyl-4H-pyrazino[2,1-c][1,2,4]triazin-9-amine (CID 139313929) is 3-cyclohexyl-6-methyl-4H-pyrazino[2,1-c][1,2,4]triazin-9-amine.
What is the SMILES notation for 3-cyclohexyl-6-methyl-4H-pyrazino[2,1-c][1,2,4]triazin-9-amine?
The canonical SMILES for 3-cyclohexyl-6-methyl-4H-pyrazino[2,1-c][1,2,4]triazin-9-amine is CC1=CN=C(N)C2=NN=C(C3CCCCC3)CN12.
What is the InChIKey of 3-cyclohexyl-6-methyl-4H-pyrazino[2,1-c][1,2,4]triazin-9-amine?
The InChIKey is XKPVZNZMTPYJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-9-7-15-12(14)13-17-16-11(8-18(9)13)10-5-3-2-4-6-10/h7,10H,2-6,8H2,1H3,(H2,14,15).
What are the key properties of 3-cyclohexyl-6-methyl-4H-pyrazino[2,1-c][1,2,4]triazin-9-amine?
3-cyclohexyl-6-methyl-4H-pyrazino[2,1-c][1,2,4]triazin-9-amine has a molecular weight of 245.33 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-6-methyl-4H-pyrazino[2,1-c][1,2,4]triazin-9-amine is sourced from PubChem (CID 139313929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).