1-N-(5,6-diethyl-1,2,4-triazin-3-yl)-4-methylpentane-1,2-diamine

C13H25N5 — CID 107159279

IUPAC1-N-(5,6-diethyl-1,2,4-triazin-3-yl)-4-methylpentane-1,2-diamine
SMILESCCc1nnc(NCC(N)CC(C)C)nc1CC
InChIInChI=1S/C13H25N5/c1-5-11-12(6-2)17-18-13(16-11)15-8-10(14)7-9(3)4/h9-10H,5-8,14H2,1-4H3,(H,15,16,18)
InChIKeyJIBKGEHCRZMXEY-UHFFFAOYSA-N
MW251.38 g/mol
LogP1.78
Rot. Bonds7

About 1-N-(5,6-diethyl-1,2,4-triazin-3-yl)-4-methylpentane-1,2-diamine

1-N-(5,6-diethyl-1,2,4-triazin-3-yl)-4-methylpentane-1,2-diamine (PubChem CID 107159279) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is 1-N-(5,6-diethyl-1,2,4-triazin-3-yl)-4-methylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-(5,6-diethyl-1,2,4-triazin-3-yl)-4-methylpentane-1,2-diamine
PubChem CID107159279
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC Name1-N-(5,6-diethyl-1,2,4-triazin-3-yl)-4-methylpentane-1,2-diamine
SMILESCCc1nnc(NCC(N)CC(C)C)nc1CC
InChIInChI=1S/C13H25N5/c1-5-11-12(6-2)17-18-13(16-11)15-8-10(14)7-9(3)4/h9-10H,5-8,14H2,1-4H3,(H,15,16,18)
InChIKeyJIBKGEHCRZMXEY-UHFFFAOYSA-N
XLogP1.78
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-N-(5,6-diethyl-1,2,4-triazin-3-yl)-4-methylpentane-1,2-diamine?
The IUPAC name of 1-N-(5,6-diethyl-1,2,4-triazin-3-yl)-4-methylpentane-1,2-diamine (CID 107159279) is 1-N-(5,6-diethyl-1,2,4-triazin-3-yl)-4-methylpentane-1,2-diamine.
What is the SMILES notation for 1-N-(5,6-diethyl-1,2,4-triazin-3-yl)-4-methylpentane-1,2-diamine?
The canonical SMILES for 1-N-(5,6-diethyl-1,2,4-triazin-3-yl)-4-methylpentane-1,2-diamine is CCc1nnc(NCC(N)CC(C)C)nc1CC.
What is the InChIKey of 1-N-(5,6-diethyl-1,2,4-triazin-3-yl)-4-methylpentane-1,2-diamine?
The InChIKey is JIBKGEHCRZMXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-5-11-12(6-2)17-18-13(16-11)15-8-10(14)7-9(3)4/h9-10H,5-8,14H2,1-4H3,(H,15,16,18).
What are the key properties of 1-N-(5,6-diethyl-1,2,4-triazin-3-yl)-4-methylpentane-1,2-diamine?
1-N-(5,6-diethyl-1,2,4-triazin-3-yl)-4-methylpentane-1,2-diamine has a molecular weight of 251.38 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5,6-diethyl-1,2,4-triazin-3-yl)-4-methylpentane-1,2-diamine is sourced from PubChem (CID 107159279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).