ethane;7-methylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine

C9H15N5 — CID 145368104

IUPACethane;7-methylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
SMILESCC.Cc1ccc2c(N)nc(N)nn12
InChIInChI=1S/C7H9N5.C2H6/c1-4-2-3-5-6(8)10-7(9)11-12(4)5;1-2/h2-3H,1H3,(H4,8,9,10,11);1-2H3
InChIKeyDKSBYBZNTAPOSX-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.23
Rot. Bonds

About ethane;7-methylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine

ethane;7-methylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine (PubChem CID 145368104) has the molecular formula C9H15N5 and a molecular weight of 193.25 g/mol. Its IUPAC name is ethane;7-methylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine.

Molecular Properties

Compound Nameethane;7-methylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
PubChem CID145368104
Molecular FormulaC9H15N5
Molecular Weight193.25 g/mol
Exact Mass193.13
IUPAC Nameethane;7-methylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
SMILESCC.Cc1ccc2c(N)nc(N)nn12
InChIInChI=1S/C7H9N5.C2H6/c1-4-2-3-5-6(8)10-7(9)11-12(4)5;1-2/h2-3H,1H3,(H4,8,9,10,11);1-2H3
InChIKeyDKSBYBZNTAPOSX-UHFFFAOYSA-N
XLogP1.23
TPSA82.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethane;7-methylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;7-methylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine?
The IUPAC name of ethane;7-methylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine (CID 145368104) is ethane;7-methylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine.
What is the SMILES notation for ethane;7-methylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine?
The canonical SMILES for ethane;7-methylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine is CC.Cc1ccc2c(N)nc(N)nn12.
What is the InChIKey of ethane;7-methylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine?
The InChIKey is DKSBYBZNTAPOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5.C2H6/c1-4-2-3-5-6(8)10-7(9)11-12(4)5;1-2/h2-3H,1H3,(H4,8,9,10,11);1-2H3.
What are the key properties of ethane;7-methylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine?
ethane;7-methylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine has a molecular weight of 193.25 g/mol, XLogP of 1.23, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-methylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine is sourced from PubChem (CID 145368104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).