4-N-cyclopenta-1,4-dien-1-yl-4-N,6-N,6-N,2,5-pentamethyl-2H-1,3,5-triazine-4,6-diamine

C13H21N5 — CID 157171988

IUPAC4-N-cyclopenta-1,4-dien-1-yl-4-N,6-N,6-N,2,5-pentamethyl-2H-1,3,5-triazine-4,6-diamine
SMILESCC1N=C(N(C)C)N(C)C(N(C)C2=CCC=C2)=N1
InChIInChI=1S/C13H21N5/c1-10-14-12(16(2)3)18(5)13(15-10)17(4)11-8-6-7-9-11/h6,8-10H,7H2,1-5H3
InChIKeyFISVJXTZALAKII-UHFFFAOYSA-N
MW247.35 g/mol
LogP1.33
Rot. Bonds1

About 4-N-cyclopenta-1,4-dien-1-yl-4-N,6-N,6-N,2,5-pentamethyl-2H-1,3,5-triazine-4,6-diamine

4-N-cyclopenta-1,4-dien-1-yl-4-N,6-N,6-N,2,5-pentamethyl-2H-1,3,5-triazine-4,6-diamine (PubChem CID 157171988) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 4-N-cyclopenta-1,4-dien-1-yl-4-N,6-N,6-N,2,5-pentamethyl-2H-1,3,5-triazine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopenta-1,4-dien-1-yl-4-N,6-N,6-N,2,5-pentamethyl-2H-1,3,5-triazine-4,6-diamine
PubChem CID157171988
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name4-N-cyclopenta-1,4-dien-1-yl-4-N,6-N,6-N,2,5-pentamethyl-2H-1,3,5-triazine-4,6-diamine
SMILESCC1N=C(N(C)C)N(C)C(N(C)C2=CCC=C2)=N1
InChIInChI=1S/C13H21N5/c1-10-14-12(16(2)3)18(5)13(15-10)17(4)11-8-6-7-9-11/h6,8-10H,7H2,1-5H3
InChIKeyFISVJXTZALAKII-UHFFFAOYSA-N
XLogP1.33
TPSA34.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[Bis(dimethylamino)methylideneamino]cyclopenta-1,3-dien-1-yl]-1,1,3,3-tetramethylguanidine
CID 71037905
2-[4-[Bis(dimethylamino)methylideneamino]cyclopenta-1,3-dien-1-yl]-1,1,3,3-tetramethylguanidine
CID 71037906
2-[5-[Bis(dimethylamino)methylideneamino]cyclopenta-1,4-dien-1-yl]-1,1,3,3-tetramethylguanidine
CID 71037911
2-Cyclopenta-1,3-dien-1-yl-1,1,3,3-tetramethylguanidine
CID 89212598
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,N,6-triethyl-1,3-dimethyl-4H-pyrimidin-3-ium-2-amine
CID 118535997
2-[(1E,3Z)-cycloocta-1,3-dien-6-yn-1-yl]imino-N,1,3,5-tetramethyl-N-prop-2-enylimidazol-4-amine
CID 134288718
(6E)-6-butylidene-1-[(Z)-prop-1-enyl]pyrimidine
CID 137445526
5-ethenyl-2-N,2-N,4-N,4-N,3-pentamethyl-6-[(Z)-prop-1-enyl]-4H-pyrimidine-2,4-diamine
CID 138462046
1-[(2E)-2-butylidene-1-pyridinyl]-N-methylmethanimine
CID 139397212
N-ethyl-N'-[(3Z)-hexa-1,3-dien-2-yl]-N-methylmethanimidamide
CID 139453805

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopenta-1,4-dien-1-yl-4-N,6-N,6-N,2,5-pentamethyl-2H-1,3,5-triazine-4,6-diamine?
The IUPAC name of 4-N-cyclopenta-1,4-dien-1-yl-4-N,6-N,6-N,2,5-pentamethyl-2H-1,3,5-triazine-4,6-diamine (CID 157171988) is 4-N-cyclopenta-1,4-dien-1-yl-4-N,6-N,6-N,2,5-pentamethyl-2H-1,3,5-triazine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopenta-1,4-dien-1-yl-4-N,6-N,6-N,2,5-pentamethyl-2H-1,3,5-triazine-4,6-diamine?
The canonical SMILES for 4-N-cyclopenta-1,4-dien-1-yl-4-N,6-N,6-N,2,5-pentamethyl-2H-1,3,5-triazine-4,6-diamine is CC1N=C(N(C)C)N(C)C(N(C)C2=CCC=C2)=N1.
What is the InChIKey of 4-N-cyclopenta-1,4-dien-1-yl-4-N,6-N,6-N,2,5-pentamethyl-2H-1,3,5-triazine-4,6-diamine?
The InChIKey is FISVJXTZALAKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-10-14-12(16(2)3)18(5)13(15-10)17(4)11-8-6-7-9-11/h6,8-10H,7H2,1-5H3.
What are the key properties of 4-N-cyclopenta-1,4-dien-1-yl-4-N,6-N,6-N,2,5-pentamethyl-2H-1,3,5-triazine-4,6-diamine?
4-N-cyclopenta-1,4-dien-1-yl-4-N,6-N,6-N,2,5-pentamethyl-2H-1,3,5-triazine-4,6-diamine has a molecular weight of 247.35 g/mol, XLogP of 1.33, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopenta-1,4-dien-1-yl-4-N,6-N,6-N,2,5-pentamethyl-2H-1,3,5-triazine-4,6-diamine is sourced from PubChem (CID 157171988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).