2-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-phenylpropane-1,2-diamine

C14H19N5 — CID 105060691

IUPAC2-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-phenylpropane-1,2-diamine
SMILESCc1nnc(NC(C)(CN)c2ccccc2)nc1C
InChIInChI=1S/C14H19N5/c1-10-11(2)18-19-13(16-10)17-14(3,9-15)12-7-5-4-6-8-12/h4-8H,9,15H2,1-3H3,(H,16,17,19)
InChIKeyIUKLCVPMEHJZDY-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.77
Rot. Bonds4

About 2-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-phenylpropane-1,2-diamine

2-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-phenylpropane-1,2-diamine (PubChem CID 105060691) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-phenylpropane-1,2-diamine
PubChem CID105060691
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name2-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-phenylpropane-1,2-diamine
SMILESCc1nnc(NC(C)(CN)c2ccccc2)nc1C
InChIInChI=1S/C14H19N5/c1-10-11(2)18-19-13(16-10)17-14(3,9-15)12-7-5-4-6-8-12/h4-8H,9,15H2,1-3H3,(H,16,17,19)
InChIKeyIUKLCVPMEHJZDY-UHFFFAOYSA-N
XLogP1.77
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-phenylpropane-1,2-diamine?
The IUPAC name of 2-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-phenylpropane-1,2-diamine (CID 105060691) is 2-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-phenylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-phenylpropane-1,2-diamine?
The canonical SMILES for 2-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-phenylpropane-1,2-diamine is Cc1nnc(NC(C)(CN)c2ccccc2)nc1C.
What is the InChIKey of 2-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-phenylpropane-1,2-diamine?
The InChIKey is IUKLCVPMEHJZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-10-11(2)18-19-13(16-10)17-14(3,9-15)12-7-5-4-6-8-12/h4-8H,9,15H2,1-3H3,(H,16,17,19).
What are the key properties of 2-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-phenylpropane-1,2-diamine?
2-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-phenylpropane-1,2-diamine has a molecular weight of 257.34 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-phenylpropane-1,2-diamine is sourced from PubChem (CID 105060691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).