6-(cyclopenta-1,4-dien-1-ylmethylimino)-2-methyl-2,5-dihydro-1H-1,3,5-triazin-4-amine

C10H15N5 — CID 159034110

IUPAC6-(cyclopenta-1,4-dien-1-ylmethylimino)-2-methyl-2,5-dihydro-1H-1,3,5-triazin-4-amine
SMILESCC1N=C(N)N/C(=N\CC2=CCC=C2)N1
InChIInChI=1S/C10H15N5/c1-7-13-9(11)15-10(14-7)12-6-8-4-2-3-5-8/h2,4-5,7H,3,6H2,1H3,(H4,11,12,13,14,15)
InChIKeyNIVKBZCCWUXRSX-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.08
Rot. Bonds2

About 6-(cyclopenta-1,4-dien-1-ylmethylimino)-2-methyl-2,5-dihydro-1H-1,3,5-triazin-4-amine

6-(cyclopenta-1,4-dien-1-ylmethylimino)-2-methyl-2,5-dihydro-1H-1,3,5-triazin-4-amine (PubChem CID 159034110) has the molecular formula C10H15N5 and a molecular weight of 205.26 g/mol. Its IUPAC name is 6-(cyclopenta-1,4-dien-1-ylmethylimino)-2-methyl-2,5-dihydro-1H-1,3,5-triazin-4-amine.

Molecular Properties

Compound Name6-(cyclopenta-1,4-dien-1-ylmethylimino)-2-methyl-2,5-dihydro-1H-1,3,5-triazin-4-amine
PubChem CID159034110
Molecular FormulaC10H15N5
Molecular Weight205.26 g/mol
Exact Mass205.13
IUPAC Name6-(cyclopenta-1,4-dien-1-ylmethylimino)-2-methyl-2,5-dihydro-1H-1,3,5-triazin-4-amine
SMILESCC1N=C(N)N/C(=N\CC2=CCC=C2)N1
InChIInChI=1S/C10H15N5/c1-7-13-9(11)15-10(14-7)12-6-8-4-2-3-5-8/h2,4-5,7H,3,6H2,1H3,(H4,11,12,13,14,15)
InChIKeyNIVKBZCCWUXRSX-UHFFFAOYSA-N
XLogP0.08
TPSA74.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(cyclopenta-1,4-dien-1-ylmethylimino)-2-methyl-2,5-dihydro-1H-1,3,5-triazin-4-amine with MolForge

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Related Compounds

N-cyano-N'-(1,1,5-trimethyl-2H-pyridin-1-ium-6-yl)methanimidamide
CID 91608428
6-N-(2-ethylpenta-2,4-dienyl)-2-N,2-N,6-N,4-tetramethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine
CID 123354238
2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine
CID 143503835
N-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine
CID 146653890
1-(cyclohexa-1,5-dien-1-ylmethyl)-3-(N,N-dimethylcarbamimidoyl)-2-methylguanidine
CID 176543827
2-Cyclopenta-2,4-dien-1-yl-1,3-di(propan-2-yl)guanidine
CID 132937874
2-methyl-6-[(4-methylcyclopenta-1,4-dien-1-yl)methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine
CID 157151382
2-methyl-6-[(2-methylcyclopenta-1,4-dien-1-yl)methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine
CID 157151383
2-methyl-6-[(5-methylcyclopenta-1,4-dien-1-yl)methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine
CID 157151384
6-N,4-dimethyl-6-N-[(4-methylcyclopenta-1,4-dien-1-yl)methyl]-1,4-dihydro-1,3,5-triazine-2,6-diamine
CID 157151385
6-N,4-dimethyl-6-N-[(5-methylcyclopenta-1,4-dien-1-yl)methyl]-1,4-dihydro-1,3,5-triazine-2,6-diamine
CID 157151386
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-(cyclopenta-1,4-dien-1-ylmethylimino)-2-methyl-2,5-dihydro-1H-1,3,5-triazin-4-amine?
The IUPAC name of 6-(cyclopenta-1,4-dien-1-ylmethylimino)-2-methyl-2,5-dihydro-1H-1,3,5-triazin-4-amine (CID 159034110) is 6-(cyclopenta-1,4-dien-1-ylmethylimino)-2-methyl-2,5-dihydro-1H-1,3,5-triazin-4-amine.
What is the SMILES notation for 6-(cyclopenta-1,4-dien-1-ylmethylimino)-2-methyl-2,5-dihydro-1H-1,3,5-triazin-4-amine?
The canonical SMILES for 6-(cyclopenta-1,4-dien-1-ylmethylimino)-2-methyl-2,5-dihydro-1H-1,3,5-triazin-4-amine is CC1N=C(N)N/C(=N\CC2=CCC=C2)N1.
What is the InChIKey of 6-(cyclopenta-1,4-dien-1-ylmethylimino)-2-methyl-2,5-dihydro-1H-1,3,5-triazin-4-amine?
The InChIKey is NIVKBZCCWUXRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5/c1-7-13-9(11)15-10(14-7)12-6-8-4-2-3-5-8/h2,4-5,7H,3,6H2,1H3,(H4,11,12,13,14,15).
What are the key properties of 6-(cyclopenta-1,4-dien-1-ylmethylimino)-2-methyl-2,5-dihydro-1H-1,3,5-triazin-4-amine?
6-(cyclopenta-1,4-dien-1-ylmethylimino)-2-methyl-2,5-dihydro-1H-1,3,5-triazin-4-amine has a molecular weight of 205.26 g/mol, XLogP of 0.08, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopenta-1,4-dien-1-ylmethylimino)-2-methyl-2,5-dihydro-1H-1,3,5-triazin-4-amine is sourced from PubChem (CID 159034110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).