N'-(5,6-diethyl-1,2,4-triazin-3-yl)-N'-(2-methoxyethyl)propane-1,3-diamine

C13H25N5O — CID 105362222

IUPACN'-(5,6-diethyl-1,2,4-triazin-3-yl)-N'-(2-methoxyethyl)propane-1,3-diamine
SMILESCCc1nnc(N(CCCN)CCOC)nc1CC
InChIInChI=1S/C13H25N5O/c1-4-11-12(5-2)16-17-13(15-11)18(8-6-7-14)9-10-19-3/h4-10,14H2,1-3H3
InChIKeyJVVAPIFMAIQIBN-UHFFFAOYSA-N
MW267.38 g/mol
LogP0.80
Rot. Bonds9

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

N'-(5,6-diethyl-1,2,4-triazin-3-yl)-N'-(2-methoxyethyl)propane-1,3-diamine (PubChem CID 105362222) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is N'-(5,6-diethyl-1,2,4-triazin-3-yl)-N'-(2-methoxyethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(5,6-diethyl-1,2,4-triazin-3-yl)-N'-(2-methoxyethyl)propane-1,3-diamine
PubChem CID105362222
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC NameN'-(5,6-diethyl-1,2,4-triazin-3-yl)-N'-(2-methoxyethyl)propane-1,3-diamine
SMILESCCc1nnc(N(CCCN)CCOC)nc1CC
InChIInChI=1S/C13H25N5O/c1-4-11-12(5-2)16-17-13(15-11)18(8-6-7-14)9-10-19-3/h4-10,14H2,1-3H3
InChIKeyJVVAPIFMAIQIBN-UHFFFAOYSA-N
XLogP0.80
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N'-(5,6-diethyl-1,2,4-triazin-3-yl)-N'-(2-methoxyethyl)propane-1,3-diamine?
The IUPAC name of N'-(5,6-diethyl-1,2,4-triazin-3-yl)-N'-(2-methoxyethyl)propane-1,3-diamine (CID 105362222) is N'-(5,6-diethyl-1,2,4-triazin-3-yl)-N'-(2-methoxyethyl)propane-1,3-diamine.
What is the SMILES notation for N'-(5,6-diethyl-1,2,4-triazin-3-yl)-N'-(2-methoxyethyl)propane-1,3-diamine?
The canonical SMILES for N'-(5,6-diethyl-1,2,4-triazin-3-yl)-N'-(2-methoxyethyl)propane-1,3-diamine is CCc1nnc(N(CCCN)CCOC)nc1CC.
What is the InChIKey of N'-(5,6-diethyl-1,2,4-triazin-3-yl)-N'-(2-methoxyethyl)propane-1,3-diamine?
The InChIKey is JVVAPIFMAIQIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-4-11-12(5-2)16-17-13(15-11)18(8-6-7-14)9-10-19-3/h4-10,14H2,1-3H3.
What are the key properties of N'-(5,6-diethyl-1,2,4-triazin-3-yl)-N'-(2-methoxyethyl)propane-1,3-diamine?
N'-(5,6-diethyl-1,2,4-triazin-3-yl)-N'-(2-methoxyethyl)propane-1,3-diamine has a molecular weight of 267.38 g/mol, XLogP of 0.80, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5,6-diethyl-1,2,4-triazin-3-yl)-N'-(2-methoxyethyl)propane-1,3-diamine is sourced from PubChem (CID 105362222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).