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

C9H16N4 — CID 83065040

IUPACN,N'-dimethyl-N'-(3-methylpyrazin-2-yl)ethane-1,2-diamine
SMILESCNCCN(C)c1nccnc1C
InChIInChI=1S/C9H16N4/c1-8-9(12-5-4-11-8)13(3)7-6-10-2/h4-5,10H,6-7H2,1-3H3
InChIKeyBOBZADQQMQJINF-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.44
Rot. Bonds4

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

N,N'-dimethyl-N'-(3-methylpyrazin-2-yl)ethane-1,2-diamine (PubChem CID 83065040) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is N,N'-dimethyl-N'-(3-methylpyrazin-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-(3-methylpyrazin-2-yl)ethane-1,2-diamine
PubChem CID83065040
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC NameN,N'-dimethyl-N'-(3-methylpyrazin-2-yl)ethane-1,2-diamine
SMILESCNCCN(C)c1nccnc1C
InChIInChI=1S/C9H16N4/c1-8-9(12-5-4-11-8)13(3)7-6-10-2/h4-5,10H,6-7H2,1-3H3
InChIKeyBOBZADQQMQJINF-UHFFFAOYSA-N
XLogP0.44
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-(3-methylpyrazin-2-yl)ethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-N'-(3-methylpyrazin-2-yl)ethane-1,2-diamine (CID 83065040) is N,N'-dimethyl-N'-(3-methylpyrazin-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-(3-methylpyrazin-2-yl)ethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-N'-(3-methylpyrazin-2-yl)ethane-1,2-diamine is CNCCN(C)c1nccnc1C.
What is the InChIKey of N,N'-dimethyl-N'-(3-methylpyrazin-2-yl)ethane-1,2-diamine?
The InChIKey is BOBZADQQMQJINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-8-9(12-5-4-11-8)13(3)7-6-10-2/h4-5,10H,6-7H2,1-3H3.
What are the key properties of N,N'-dimethyl-N'-(3-methylpyrazin-2-yl)ethane-1,2-diamine?
N,N'-dimethyl-N'-(3-methylpyrazin-2-yl)ethane-1,2-diamine has a molecular weight of 180.25 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-(3-methylpyrazin-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 83065040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).