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

C13H21N5 — CID 157151389

IUPACN,N,2-trimethyl-6-[(2-methylcyclopenta-1,4-dien-1-yl)methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine
SMILESCC1=C(C/N=C2\NC(N(C)C)=NC(C)N2)C=CC1
InChIInChI=1S/C13H21N5/c1-9-6-5-7-11(9)8-14-12-15-10(2)16-13(17-12)18(3)4/h5,7,10H,6,8H2,1-4H3,(H2,14,15,16,17)
InChIKeyLMCOCTOSCRADSM-UHFFFAOYSA-N
MW247.35 g/mol
LogP1.08
Rot. Bonds2

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

N,N,2-trimethyl-6-[(2-methylcyclopenta-1,4-dien-1-yl)methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine (PubChem CID 157151389) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is N,N,2-trimethyl-6-[(2-methylcyclopenta-1,4-dien-1-yl)methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine.

Molecular Properties

Compound NameN,N,2-trimethyl-6-[(2-methylcyclopenta-1,4-dien-1-yl)methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine
PubChem CID157151389
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC NameN,N,2-trimethyl-6-[(2-methylcyclopenta-1,4-dien-1-yl)methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine
SMILESCC1=C(C/N=C2\NC(N(C)C)=NC(C)N2)C=CC1
InChIInChI=1S/C13H21N5/c1-9-6-5-7-11(9)8-14-12-15-10(2)16-13(17-12)18(3)4/h5,7,10H,6,8H2,1-4H3,(H2,14,15,16,17)
InChIKeyLMCOCTOSCRADSM-UHFFFAOYSA-N
XLogP1.08
TPSA52.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 51.08
H-Bond Donors ≤ 52
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 N,N,2-trimethyl-6-[(2-methylcyclopenta-1,4-dien-1-yl)methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine?
The IUPAC name of N,N,2-trimethyl-6-[(2-methylcyclopenta-1,4-dien-1-yl)methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine (CID 157151389) is N,N,2-trimethyl-6-[(2-methylcyclopenta-1,4-dien-1-yl)methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine.
What is the SMILES notation for N,N,2-trimethyl-6-[(2-methylcyclopenta-1,4-dien-1-yl)methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine?
The canonical SMILES for N,N,2-trimethyl-6-[(2-methylcyclopenta-1,4-dien-1-yl)methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine is CC1=C(C/N=C2\NC(N(C)C)=NC(C)N2)C=CC1.
What is the InChIKey of N,N,2-trimethyl-6-[(2-methylcyclopenta-1,4-dien-1-yl)methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine?
The InChIKey is LMCOCTOSCRADSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-9-6-5-7-11(9)8-14-12-15-10(2)16-13(17-12)18(3)4/h5,7,10H,6,8H2,1-4H3,(H2,14,15,16,17).
What are the key properties of N,N,2-trimethyl-6-[(2-methylcyclopenta-1,4-dien-1-yl)methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine?
N,N,2-trimethyl-6-[(2-methylcyclopenta-1,4-dien-1-yl)methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine has a molecular weight of 247.35 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-6-[(2-methylcyclopenta-1,4-dien-1-yl)methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine is sourced from PubChem (CID 157151389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).