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

C12H19N5 — CID 157171987

IUPAC6-N-cyclopenta-1,4-dien-1-yl-2-N,2-N,6-N,4-tetramethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine
SMILESCC1N=C(N(C)C)NC(N(C)C2=CCC=C2)=N1
InChIInChI=1S/C12H19N5/c1-9-13-11(16(2)3)15-12(14-9)17(4)10-7-5-6-8-10/h5,7-9H,6H2,1-4H3,(H,13,14,15)
InChIKeyLXXQBJXXOFVXKS-UHFFFAOYSA-N
MW233.32 g/mol
LogP0.98
Rot. Bonds1

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

6-N-cyclopenta-1,4-dien-1-yl-2-N,2-N,6-N,4-tetramethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine (PubChem CID 157171987) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 6-N-cyclopenta-1,4-dien-1-yl-2-N,2-N,6-N,4-tetramethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine.

Molecular Properties

Compound Name6-N-cyclopenta-1,4-dien-1-yl-2-N,2-N,6-N,4-tetramethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine
PubChem CID157171987
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name6-N-cyclopenta-1,4-dien-1-yl-2-N,2-N,6-N,4-tetramethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine
SMILESCC1N=C(N(C)C)NC(N(C)C2=CCC=C2)=N1
InChIInChI=1S/C12H19N5/c1-9-13-11(16(2)3)15-12(14-9)17(4)10-7-5-6-8-10/h5,7-9H,6H2,1-4H3,(H,13,14,15)
InChIKeyLXXQBJXXOFVXKS-UHFFFAOYSA-N
XLogP0.98
TPSA43.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-N-cyclopenta-1,4-dien-1-yl-2-N,2-N,6-N,4-tetramethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine with MolForge

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Launch Full Analysis

Related Compounds

2-[3-[Bis(dimethylamino)methylideneamino]cyclopenta-1,3-dien-1-yl]-1,1,3,3-tetramethylguanidine
CID 71037905
2-Cyclopenta-1,4-dien-1-yl-1,1,3,3-tetramethylguanidine
CID 89212599
4-N-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-N,6-N,6-N,2,5-pentamethyl-2H-1,3,5-triazine-4,6-diamine
CID 89682679
(N-hexa-2,4-dien-3-yl-N'-methylcarbamimidoyl)-methylidene-(1-methyl-2H-pyridin-5-yl)azanium
CID 123392654
1-Cyclohepta-1,4,6-trien-1-yl-3-ethyl-1,2-dimethylguanidine
CID 146532026
N-methyl-1-[(3,4,6-trimethyl-1,4-dihydropyrimidin-2-ylidene)amino]methanamine
CID 146777793
(5Z)-5-[(3E)-3-(dimethylaminomethylidene)pent-4-en-2-ylidene]-N-[(3E)-3-methylpenta-1,3-dien-2-yl]-4-propan-2-ylidene-1H-imidazol-2-amine
CID 167233357
1-Carbamimidoyl-2-cyclopenta-1,4-dien-1-yl-1-methylguanidine
CID 157078722
1-[Amino-(cyclopenta-1,4-dien-1-ylamino)methylidene]-2-methylguanidine
CID 157078723
1-Cyclopenta-1,4-dien-1-yl-3-(diaminomethylidene)-2-methylguanidine
CID 157078724
1-Cyclopenta-1,4-dien-1-yl-3-(diaminomethylidene)-1-methylguanidine
CID 157078725
6-N,4-dimethyl-6-N-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]-1,4-dihydro-1,3,5-triazine-2,6-diamine
CID 157151387

Frequently Asked Questions

What is the IUPAC name of 6-N-cyclopenta-1,4-dien-1-yl-2-N,2-N,6-N,4-tetramethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine?
The IUPAC name of 6-N-cyclopenta-1,4-dien-1-yl-2-N,2-N,6-N,4-tetramethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine (CID 157171987) is 6-N-cyclopenta-1,4-dien-1-yl-2-N,2-N,6-N,4-tetramethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine.
What is the SMILES notation for 6-N-cyclopenta-1,4-dien-1-yl-2-N,2-N,6-N,4-tetramethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine?
The canonical SMILES for 6-N-cyclopenta-1,4-dien-1-yl-2-N,2-N,6-N,4-tetramethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine is CC1N=C(N(C)C)NC(N(C)C2=CCC=C2)=N1.
What is the InChIKey of 6-N-cyclopenta-1,4-dien-1-yl-2-N,2-N,6-N,4-tetramethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine?
The InChIKey is LXXQBJXXOFVXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-9-13-11(16(2)3)15-12(14-9)17(4)10-7-5-6-8-10/h5,7-9H,6H2,1-4H3,(H,13,14,15).
What are the key properties of 6-N-cyclopenta-1,4-dien-1-yl-2-N,2-N,6-N,4-tetramethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine?
6-N-cyclopenta-1,4-dien-1-yl-2-N,2-N,6-N,4-tetramethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine has a molecular weight of 233.32 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclopenta-1,4-dien-1-yl-2-N,2-N,6-N,4-tetramethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine is sourced from PubChem (CID 157171987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).