2-N-cyclopenta-1,4-dien-1-yl-6-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine

C11H17N5 — CID 157171986

IUPAC2-N-cyclopenta-1,4-dien-1-yl-6-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine
SMILESCC1N=C(NC2=CCC=C2)NC(N(C)C)=N1
InChIInChI=1S/C11H17N5/c1-8-12-10(14-9-6-4-5-7-9)15-11(13-8)16(2)3/h4,6-8H,5H2,1-3H3,(H2,12,13,14,15)
InChIKeyBPOIALCWADWAEX-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.64
Rot. Bonds1

About 2-N-cyclopenta-1,4-dien-1-yl-6-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine

2-N-cyclopenta-1,4-dien-1-yl-6-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine (PubChem CID 157171986) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-N-cyclopenta-1,4-dien-1-yl-6-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine.

Molecular Properties

Compound Name2-N-cyclopenta-1,4-dien-1-yl-6-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine
PubChem CID157171986
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name2-N-cyclopenta-1,4-dien-1-yl-6-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine
SMILESCC1N=C(NC2=CCC=C2)NC(N(C)C)=N1
InChIInChI=1S/C11H17N5/c1-8-12-10(14-9-6-4-5-7-9)15-11(13-8)16(2)3/h4,6-8H,5H2,1-3H3,(H2,12,13,14,15)
InChIKeyBPOIALCWADWAEX-UHFFFAOYSA-N
XLogP0.64
TPSA52.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopenta-1,4-dien-1-yl-6-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine?
The IUPAC name of 2-N-cyclopenta-1,4-dien-1-yl-6-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine (CID 157171986) is 2-N-cyclopenta-1,4-dien-1-yl-6-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine.
What is the SMILES notation for 2-N-cyclopenta-1,4-dien-1-yl-6-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine?
The canonical SMILES for 2-N-cyclopenta-1,4-dien-1-yl-6-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine is CC1N=C(NC2=CCC=C2)NC(N(C)C)=N1.
What is the InChIKey of 2-N-cyclopenta-1,4-dien-1-yl-6-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine?
The InChIKey is BPOIALCWADWAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-8-12-10(14-9-6-4-5-7-9)15-11(13-8)16(2)3/h4,6-8H,5H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 2-N-cyclopenta-1,4-dien-1-yl-6-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine?
2-N-cyclopenta-1,4-dien-1-yl-6-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine has a molecular weight of 219.29 g/mol, XLogP of 0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopenta-1,4-dien-1-yl-6-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine is sourced from PubChem (CID 157171986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).