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

C10H14N6 — CID 157136984

IUPAC2-N-cyclopenta-1,4-dien-1-yl-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCNc1nc(NC)nc(NC2=CCC=C2)n1
InChIInChI=1S/C10H14N6/c1-11-8-14-9(12-2)16-10(15-8)13-7-5-3-4-6-7/h3,5-6H,4H2,1-2H3,(H3,11,12,13,14,15,16)
InChIKeyBNDWANWVLFZSLL-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.21
Rot. Bonds4

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

2-N-cyclopenta-1,4-dien-1-yl-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 157136984) has the molecular formula C10H14N6 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-N-cyclopenta-1,4-dien-1-yl-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-cyclopenta-1,4-dien-1-yl-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine
PubChem CID157136984
Molecular FormulaC10H14N6
Molecular Weight218.26 g/mol
Exact Mass218.13
IUPAC Name2-N-cyclopenta-1,4-dien-1-yl-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCNc1nc(NC)nc(NC2=CCC=C2)n1
InChIInChI=1S/C10H14N6/c1-11-8-14-9(12-2)16-10(15-8)13-7-5-3-4-6-7/h3,5-6H,4H2,1-2H3,(H3,11,12,13,14,15,16)
InChIKeyBNDWANWVLFZSLL-UHFFFAOYSA-N
XLogP1.21
TPSA74.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-N-cyclopenta-1,4-dien-1-yl-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopenta-1,4-dien-1-yl-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-cyclopenta-1,4-dien-1-yl-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine (CID 157136984) is 2-N-cyclopenta-1,4-dien-1-yl-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-cyclopenta-1,4-dien-1-yl-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-cyclopenta-1,4-dien-1-yl-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine is CNc1nc(NC)nc(NC2=CCC=C2)n1.
What is the InChIKey of 2-N-cyclopenta-1,4-dien-1-yl-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is BNDWANWVLFZSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6/c1-11-8-14-9(12-2)16-10(15-8)13-7-5-3-4-6-7/h3,5-6H,4H2,1-2H3,(H3,11,12,13,14,15,16).
What are the key properties of 2-N-cyclopenta-1,4-dien-1-yl-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
2-N-cyclopenta-1,4-dien-1-yl-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 218.26 g/mol, XLogP of 1.21, 4 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,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 157136984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).