2-N,2-N-dimethyl-4-N-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]-1,3,5-triazine-2,4,6-triamine

C12H18N6 — CID 157128092

IUPAC2-N,2-N-dimethyl-4-N-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]-1,3,5-triazine-2,4,6-triamine
SMILESCC1=C(CNc2nc(N)nc(N(C)C)n2)C=CC1
InChIInChI=1S/C12H18N6/c1-8-5-4-6-9(8)7-14-11-15-10(13)16-12(17-11)18(2)3/h4,6H,5,7H2,1-3H3,(H3,13,14,15,16,17)
InChIKeyPZUPFEINALHCRV-UHFFFAOYSA-N
MW246.32 g/mol
LogP1.21
Rot. Bonds4

About 2-N,2-N-dimethyl-4-N-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]-1,3,5-triazine-2,4,6-triamine

2-N,2-N-dimethyl-4-N-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 157128092) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-4-N-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-4-N-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]-1,3,5-triazine-2,4,6-triamine
PubChem CID157128092
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name2-N,2-N-dimethyl-4-N-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]-1,3,5-triazine-2,4,6-triamine
SMILESCC1=C(CNc2nc(N)nc(N(C)C)n2)C=CC1
InChIInChI=1S/C12H18N6/c1-8-5-4-6-9(8)7-14-11-15-10(13)16-12(17-11)18(2)3/h4,6H,5,7H2,1-3H3,(H3,13,14,15,16,17)
InChIKeyPZUPFEINALHCRV-UHFFFAOYSA-N
XLogP1.21
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-4-N-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N-dimethyl-4-N-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]-1,3,5-triazine-2,4,6-triamine (CID 157128092) is 2-N,2-N-dimethyl-4-N-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N-dimethyl-4-N-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N-dimethyl-4-N-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]-1,3,5-triazine-2,4,6-triamine is CC1=C(CNc2nc(N)nc(N(C)C)n2)C=CC1.
What is the InChIKey of 2-N,2-N-dimethyl-4-N-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]-1,3,5-triazine-2,4,6-triamine?
The InChIKey is PZUPFEINALHCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-8-5-4-6-9(8)7-14-11-15-10(13)16-12(17-11)18(2)3/h4,6H,5,7H2,1-3H3,(H3,13,14,15,16,17).
What are the key properties of 2-N,2-N-dimethyl-4-N-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]-1,3,5-triazine-2,4,6-triamine?
2-N,2-N-dimethyl-4-N-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 246.32 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-4-N-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 157128092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).