2-N-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4,6-triamine

C11H14N6 — CID 25211898

IUPAC2-N-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
SMILESCc1ccc(CNc2nc(N)nc(N)n2)cc1
InChIInChI=1S/C11H14N6/c1-7-2-4-8(5-3-7)6-14-11-16-9(12)15-10(13)17-11/h2-5H,6H2,1H3,(H5,12,13,14,15,16,17)
InChIKeySPZQSYPQCMNIJD-UHFFFAOYSA-N
MW230.28 g/mol
LogP0.96
Rot. Bonds3

About 2-N-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4,6-triamine

2-N-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 25211898) has the molecular formula C11H14N6 and a molecular weight of 230.28 g/mol. Its IUPAC name is 2-N-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
PubChem CID25211898
Molecular FormulaC11H14N6
Molecular Weight230.28 g/mol
Exact Mass230.13
IUPAC Name2-N-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
SMILESCc1ccc(CNc2nc(N)nc(N)n2)cc1
InChIInChI=1S/C11H14N6/c1-7-2-4-8(5-3-7)6-14-11-16-9(12)15-10(13)17-11/h2-5H,6H2,1H3,(H5,12,13,14,15,16,17)
InChIKeySPZQSYPQCMNIJD-UHFFFAOYSA-N
XLogP0.96
TPSA102.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4,6-triamine (CID 25211898) is 2-N-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4,6-triamine is Cc1ccc(CNc2nc(N)nc(N)n2)cc1.
What is the InChIKey of 2-N-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4,6-triamine?
The InChIKey is SPZQSYPQCMNIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6/c1-7-2-4-8(5-3-7)6-14-11-16-9(12)15-10(13)17-11/h2-5H,6H2,1H3,(H5,12,13,14,15,16,17).
What are the key properties of 2-N-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4,6-triamine?
2-N-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 230.28 g/mol, XLogP of 0.96, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 25211898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).