N-(3,6-dichloro-1,2,4-triazin-5-yl)-N',N'-diethylethane-1,2-diamine

C9H15Cl2N5 — CID 81035871

IUPACN-(3,6-dichloro-1,2,4-triazin-5-yl)-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNc1nc(Cl)nnc1Cl
InChIInChI=1S/C9H15Cl2N5/c1-3-16(4-2)6-5-12-8-7(10)14-15-9(11)13-8/h3-6H2,1-2H3,(H,12,13,15)
InChIKeyLPQPFYNZOPWJJB-UHFFFAOYSA-N
MW264.16 g/mol
LogP1.93
Rot. Bonds6

About N-(3,6-dichloro-1,2,4-triazin-5-yl)-N',N'-diethylethane-1,2-diamine

N-(3,6-dichloro-1,2,4-triazin-5-yl)-N',N'-diethylethane-1,2-diamine (PubChem CID 81035871) has the molecular formula C9H15Cl2N5 and a molecular weight of 264.16 g/mol. Its IUPAC name is N-(3,6-dichloro-1,2,4-triazin-5-yl)-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(3,6-dichloro-1,2,4-triazin-5-yl)-N',N'-diethylethane-1,2-diamine
PubChem CID81035871
Molecular FormulaC9H15Cl2N5
Molecular Weight264.16 g/mol
Exact Mass263.07
IUPAC NameN-(3,6-dichloro-1,2,4-triazin-5-yl)-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNc1nc(Cl)nnc1Cl
InChIInChI=1S/C9H15Cl2N5/c1-3-16(4-2)6-5-12-8-7(10)14-15-9(11)13-8/h3-6H2,1-2H3,(H,12,13,15)
InChIKeyLPQPFYNZOPWJJB-UHFFFAOYSA-N
XLogP1.93
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.16
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,6-dichloro-1,2,4-triazin-5-yl)-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-(3,6-dichloro-1,2,4-triazin-5-yl)-N',N'-diethylethane-1,2-diamine (CID 81035871) is N-(3,6-dichloro-1,2,4-triazin-5-yl)-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-(3,6-dichloro-1,2,4-triazin-5-yl)-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-(3,6-dichloro-1,2,4-triazin-5-yl)-N',N'-diethylethane-1,2-diamine is CCN(CC)CCNc1nc(Cl)nnc1Cl.
What is the InChIKey of N-(3,6-dichloro-1,2,4-triazin-5-yl)-N',N'-diethylethane-1,2-diamine?
The InChIKey is LPQPFYNZOPWJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15Cl2N5/c1-3-16(4-2)6-5-12-8-7(10)14-15-9(11)13-8/h3-6H2,1-2H3,(H,12,13,15).
What are the key properties of N-(3,6-dichloro-1,2,4-triazin-5-yl)-N',N'-diethylethane-1,2-diamine?
N-(3,6-dichloro-1,2,4-triazin-5-yl)-N',N'-diethylethane-1,2-diamine has a molecular weight of 264.16 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dichloro-1,2,4-triazin-5-yl)-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 81035871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).