2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine

C7H13N5 — CID 20108

IUPAC2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1ncnc(NCC)n1
InChIInChI=1S/C7H13N5/c1-3-8-6-10-5-11-7(12-6)9-4-2/h5H,3-4H2,1-2H3,(H2,8,9,10,11,12)
InChIKeyJDXQHFXXWWIZKT-UHFFFAOYSA-N
MW167.22 g/mol
LogP0.74
Rot. Bonds4

About 2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine

2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine (PubChem CID 20108) has the molecular formula C7H13N5 and a molecular weight of 167.22 g/mol. Its IUPAC name is 2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
PubChem CID20108
Molecular FormulaC7H13N5
Molecular Weight167.22 g/mol
Exact Mass167.12
IUPAC Name2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1ncnc(NCC)n1
InChIInChI=1S/C7H13N5/c1-3-8-6-10-5-11-7(12-6)9-4-2/h5H,3-4H2,1-2H3,(H2,8,9,10,11,12)
InChIKeyJDXQHFXXWWIZKT-UHFFFAOYSA-N
XLogP0.74
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.22
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine (CID 20108) is 2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine is CCNc1ncnc(NCC)n1.
What is the InChIKey of 2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is JDXQHFXXWWIZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5/c1-3-8-6-10-5-11-7(12-6)9-4-2/h5H,3-4H2,1-2H3,(H2,8,9,10,11,12).
What are the key properties of 2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine?
2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 167.22 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 20108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).