2-N-cyclopenta-1,4-dien-1-yl-4-N-methyl-1,3,5-triazine-2,4,6-triamine

C9H12N6 — CID 157136980

IUPAC2-N-cyclopenta-1,4-dien-1-yl-4-N-methyl-1,3,5-triazine-2,4,6-triamine
SMILESCNc1nc(N)nc(NC2=CCC=C2)n1
InChIInChI=1S/C9H12N6/c1-11-8-13-7(10)14-9(15-8)12-6-4-2-3-5-6/h2,4-5H,3H2,1H3,(H4,10,11,12,13,14,15)
InChIKeyFHMGKXKPGBATND-UHFFFAOYSA-N
MW204.24 g/mol
LogP0.75
Rot. Bonds3

About 2-N-cyclopenta-1,4-dien-1-yl-4-N-methyl-1,3,5-triazine-2,4,6-triamine

2-N-cyclopenta-1,4-dien-1-yl-4-N-methyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 157136980) has the molecular formula C9H12N6 and a molecular weight of 204.24 g/mol. Its IUPAC name is 2-N-cyclopenta-1,4-dien-1-yl-4-N-methyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-cyclopenta-1,4-dien-1-yl-4-N-methyl-1,3,5-triazine-2,4,6-triamine
PubChem CID157136980
Molecular FormulaC9H12N6
Molecular Weight204.24 g/mol
Exact Mass204.11
IUPAC Name2-N-cyclopenta-1,4-dien-1-yl-4-N-methyl-1,3,5-triazine-2,4,6-triamine
SMILESCNc1nc(N)nc(NC2=CCC=C2)n1
InChIInChI=1S/C9H12N6/c1-11-8-13-7(10)14-9(15-8)12-6-4-2-3-5-6/h2,4-5H,3H2,1H3,(H4,10,11,12,13,14,15)
InChIKeyFHMGKXKPGBATND-UHFFFAOYSA-N
XLogP0.75
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopenta-1,4-dien-1-yl-4-N-methyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-cyclopenta-1,4-dien-1-yl-4-N-methyl-1,3,5-triazine-2,4,6-triamine (CID 157136980) is 2-N-cyclopenta-1,4-dien-1-yl-4-N-methyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-cyclopenta-1,4-dien-1-yl-4-N-methyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-cyclopenta-1,4-dien-1-yl-4-N-methyl-1,3,5-triazine-2,4,6-triamine is CNc1nc(N)nc(NC2=CCC=C2)n1.
What is the InChIKey of 2-N-cyclopenta-1,4-dien-1-yl-4-N-methyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is FHMGKXKPGBATND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6/c1-11-8-13-7(10)14-9(15-8)12-6-4-2-3-5-6/h2,4-5H,3H2,1H3,(H4,10,11,12,13,14,15).
What are the key properties of 2-N-cyclopenta-1,4-dien-1-yl-4-N-methyl-1,3,5-triazine-2,4,6-triamine?
2-N-cyclopenta-1,4-dien-1-yl-4-N-methyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 204.24 g/mol, XLogP of 0.75, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopenta-1,4-dien-1-yl-4-N-methyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 157136980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).