2-methyl-6-[(4-methylcyclopenta-1,4-dien-1-yl)methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine

C11H17N5 — CID 157151382

IUPAC2-methyl-6-[(4-methylcyclopenta-1,4-dien-1-yl)methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine
SMILESCC1=CC(C/N=C2\NC(N)=NC(C)N2)=CC1
InChIInChI=1S/C11H17N5/c1-7-3-4-9(5-7)6-13-11-15-8(2)14-10(12)16-11/h4-5,8H,3,6H2,1-2H3,(H4,12,13,14,15,16)
InChIKeyINXINJPUDOHQMO-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.47
Rot. Bonds2

About 2-methyl-6-[(4-methylcyclopenta-1,4-dien-1-yl)methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine

2-methyl-6-[(4-methylcyclopenta-1,4-dien-1-yl)methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine (PubChem CID 157151382) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-methyl-6-[(4-methylcyclopenta-1,4-dien-1-yl)methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine.

Molecular Properties

Compound Name2-methyl-6-[(4-methylcyclopenta-1,4-dien-1-yl)methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine
PubChem CID157151382
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name2-methyl-6-[(4-methylcyclopenta-1,4-dien-1-yl)methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine
SMILESCC1=CC(C/N=C2\NC(N)=NC(C)N2)=CC1
InChIInChI=1S/C11H17N5/c1-7-3-4-9(5-7)6-13-11-15-8(2)14-10(12)16-11/h4-5,8H,3,6H2,1-2H3,(H4,12,13,14,15,16)
InChIKeyINXINJPUDOHQMO-UHFFFAOYSA-N
XLogP0.47
TPSA74.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(4-methylcyclopenta-1,4-dien-1-yl)methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine?
The IUPAC name of 2-methyl-6-[(4-methylcyclopenta-1,4-dien-1-yl)methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine (CID 157151382) is 2-methyl-6-[(4-methylcyclopenta-1,4-dien-1-yl)methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine.
What is the SMILES notation for 2-methyl-6-[(4-methylcyclopenta-1,4-dien-1-yl)methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine?
The canonical SMILES for 2-methyl-6-[(4-methylcyclopenta-1,4-dien-1-yl)methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine is CC1=CC(C/N=C2\NC(N)=NC(C)N2)=CC1.
What is the InChIKey of 2-methyl-6-[(4-methylcyclopenta-1,4-dien-1-yl)methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine?
The InChIKey is INXINJPUDOHQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-7-3-4-9(5-7)6-13-11-15-8(2)14-10(12)16-11/h4-5,8H,3,6H2,1-2H3,(H4,12,13,14,15,16).
What are the key properties of 2-methyl-6-[(4-methylcyclopenta-1,4-dien-1-yl)methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine?
2-methyl-6-[(4-methylcyclopenta-1,4-dien-1-yl)methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine has a molecular weight of 219.29 g/mol, XLogP of 0.47, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(4-methylcyclopenta-1,4-dien-1-yl)methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine is sourced from PubChem (CID 157151382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).