4-N-(2-cyclopenta-1,4-dien-1-ylethyl)-4-N,6-N,6-N,2,5-pentamethyl-2H-1,3,5-triazine-4,6-diamine

C15H25N5 — CID 157267837

IUPAC4-N-(2-cyclopenta-1,4-dien-1-ylethyl)-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)CCC2=CCC=C2)=N1
InChIInChI=1S/C15H25N5/c1-12-16-14(18(2)3)20(5)15(17-12)19(4)11-10-13-8-6-7-9-13/h6,8-9,12H,7,10-11H2,1-5H3
InChIKeyKZINSQRVCMNAPX-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.76
Rot. Bonds3

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

4-N-(2-cyclopenta-1,4-dien-1-ylethyl)-4-N,6-N,6-N,2,5-pentamethyl-2H-1,3,5-triazine-4,6-diamine (PubChem CID 157267837) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is 4-N-(2-cyclopenta-1,4-dien-1-ylethyl)-4-N,6-N,6-N,2,5-pentamethyl-2H-1,3,5-triazine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-cyclopenta-1,4-dien-1-ylethyl)-4-N,6-N,6-N,2,5-pentamethyl-2H-1,3,5-triazine-4,6-diamine
PubChem CID157267837
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC Name4-N-(2-cyclopenta-1,4-dien-1-ylethyl)-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)CCC2=CCC=C2)=N1
InChIInChI=1S/C15H25N5/c1-12-16-14(18(2)3)20(5)15(17-12)19(4)11-10-13-8-6-7-9-13/h6,8-9,12H,7,10-11H2,1-5H3
InChIKeyKZINSQRVCMNAPX-UHFFFAOYSA-N
XLogP1.76
TPSA34.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-N-(2-cyclopenta-1,4-dien-1-ylethyl)-4-N,6-N,6-N,2,5-pentamethyl-2H-1,3,5-triazine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-cyclopenta-1,4-dien-1-ylethyl)-4-N,6-N,6-N,2,5-pentamethyl-2H-1,3,5-triazine-4,6-diamine?
The IUPAC name of 4-N-(2-cyclopenta-1,4-dien-1-ylethyl)-4-N,6-N,6-N,2,5-pentamethyl-2H-1,3,5-triazine-4,6-diamine (CID 157267837) is 4-N-(2-cyclopenta-1,4-dien-1-ylethyl)-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-(2-cyclopenta-1,4-dien-1-ylethyl)-4-N,6-N,6-N,2,5-pentamethyl-2H-1,3,5-triazine-4,6-diamine?
The canonical SMILES for 4-N-(2-cyclopenta-1,4-dien-1-ylethyl)-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)CCC2=CCC=C2)=N1.
What is the InChIKey of 4-N-(2-cyclopenta-1,4-dien-1-ylethyl)-4-N,6-N,6-N,2,5-pentamethyl-2H-1,3,5-triazine-4,6-diamine?
The InChIKey is KZINSQRVCMNAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-12-16-14(18(2)3)20(5)15(17-12)19(4)11-10-13-8-6-7-9-13/h6,8-9,12H,7,10-11H2,1-5H3.
What are the key properties of 4-N-(2-cyclopenta-1,4-dien-1-ylethyl)-4-N,6-N,6-N,2,5-pentamethyl-2H-1,3,5-triazine-4,6-diamine?
4-N-(2-cyclopenta-1,4-dien-1-ylethyl)-4-N,6-N,6-N,2,5-pentamethyl-2H-1,3,5-triazine-4,6-diamine has a molecular weight of 275.40 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-cyclopenta-1,4-dien-1-ylethyl)-4-N,6-N,6-N,2,5-pentamethyl-2H-1,3,5-triazine-4,6-diamine is sourced from PubChem (CID 157267837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).