2,3-bis(aminomethyl)-6-phenyl-1,3,5-triazine-2,4-diamine

C11H17N7 — CID 121392562

IUPAC2,3-bis(aminomethyl)-6-phenyl-1,3,5-triazine-2,4-diamine
SMILESNCN1C(N)=NC(c2ccccc2)=NC1(N)CN
InChIInChI=1S/C11H17N7/c12-6-11(15)17-9(8-4-2-1-3-5-8)16-10(14)18(11)7-13/h1-5H,6-7,12-13,15H2,(H2,14,16,17)
InChIKeySIIRKVOCTLUFBO-UHFFFAOYSA-N
MW247.31 g/mol
LogP-1.45
Rot. Bonds3

About 2,3-bis(aminomethyl)-6-phenyl-1,3,5-triazine-2,4-diamine

2,3-bis(aminomethyl)-6-phenyl-1,3,5-triazine-2,4-diamine (PubChem CID 121392562) has the molecular formula C11H17N7 and a molecular weight of 247.31 g/mol. Its IUPAC name is 2,3-bis(aminomethyl)-6-phenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2,3-bis(aminomethyl)-6-phenyl-1,3,5-triazine-2,4-diamine
PubChem CID121392562
Molecular FormulaC11H17N7
Molecular Weight247.31 g/mol
Exact Mass247.15
IUPAC Name2,3-bis(aminomethyl)-6-phenyl-1,3,5-triazine-2,4-diamine
SMILESNCN1C(N)=NC(c2ccccc2)=NC1(N)CN
InChIInChI=1S/C11H17N7/c12-6-11(15)17-9(8-4-2-1-3-5-8)16-10(14)18(11)7-13/h1-5H,6-7,12-13,15H2,(H2,14,16,17)
InChIKeySIIRKVOCTLUFBO-UHFFFAOYSA-N
XLogP-1.45
TPSA132.04 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 5-1.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(aminomethyl)-6-phenyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2,3-bis(aminomethyl)-6-phenyl-1,3,5-triazine-2,4-diamine (CID 121392562) is 2,3-bis(aminomethyl)-6-phenyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2,3-bis(aminomethyl)-6-phenyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2,3-bis(aminomethyl)-6-phenyl-1,3,5-triazine-2,4-diamine is NCN1C(N)=NC(c2ccccc2)=NC1(N)CN.
What is the InChIKey of 2,3-bis(aminomethyl)-6-phenyl-1,3,5-triazine-2,4-diamine?
The InChIKey is SIIRKVOCTLUFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7/c12-6-11(15)17-9(8-4-2-1-3-5-8)16-10(14)18(11)7-13/h1-5H,6-7,12-13,15H2,(H2,14,16,17).
What are the key properties of 2,3-bis(aminomethyl)-6-phenyl-1,3,5-triazine-2,4-diamine?
2,3-bis(aminomethyl)-6-phenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 247.31 g/mol, XLogP of -1.45, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(aminomethyl)-6-phenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 121392562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).