N',N'-dimethyl-N-(1,2,4-triazin-3-yl)ethane-1,2-diamine

C7H13N5 — CID 23349880

IUPACN',N'-dimethyl-N-(1,2,4-triazin-3-yl)ethane-1,2-diamine
SMILESCN(C)CCNc1nccnn1
InChIInChI=1S/C7H13N5/c1-12(2)6-5-9-7-8-3-4-10-11-7/h3-4H,5-6H2,1-2H3,(H,8,9,11)
InChIKeyZKEPJIOCSPGJGD-UHFFFAOYSA-N
MW167.22 g/mol
LogP-0.15
Rot. Bonds4

About N',N'-dimethyl-N-(1,2,4-triazin-3-yl)ethane-1,2-diamine

N',N'-dimethyl-N-(1,2,4-triazin-3-yl)ethane-1,2-diamine (PubChem CID 23349880) has the molecular formula C7H13N5 and a molecular weight of 167.22 g/mol. Its IUPAC name is N',N'-dimethyl-N-(1,2,4-triazin-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(1,2,4-triazin-3-yl)ethane-1,2-diamine
PubChem CID23349880
Molecular FormulaC7H13N5
Molecular Weight167.22 g/mol
Exact Mass167.12
IUPAC NameN',N'-dimethyl-N-(1,2,4-triazin-3-yl)ethane-1,2-diamine
SMILESCN(C)CCNc1nccnn1
InChIInChI=1S/C7H13N5/c1-12(2)6-5-9-7-8-3-4-10-11-7/h3-4H,5-6H2,1-2H3,(H,8,9,11)
InChIKeyZKEPJIOCSPGJGD-UHFFFAOYSA-N
XLogP-0.15
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.22
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(1,2,4-triazin-3-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-(1,2,4-triazin-3-yl)ethane-1,2-diamine (CID 23349880) is N',N'-dimethyl-N-(1,2,4-triazin-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(1,2,4-triazin-3-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-(1,2,4-triazin-3-yl)ethane-1,2-diamine is CN(C)CCNc1nccnn1.
What is the InChIKey of N',N'-dimethyl-N-(1,2,4-triazin-3-yl)ethane-1,2-diamine?
The InChIKey is ZKEPJIOCSPGJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5/c1-12(2)6-5-9-7-8-3-4-10-11-7/h3-4H,5-6H2,1-2H3,(H,8,9,11).
What are the key properties of N',N'-dimethyl-N-(1,2,4-triazin-3-yl)ethane-1,2-diamine?
N',N'-dimethyl-N-(1,2,4-triazin-3-yl)ethane-1,2-diamine has a molecular weight of 167.22 g/mol, XLogP of -0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(1,2,4-triazin-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 23349880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).