2-N-(1-cyclopropylethyl)pyrazine-2,5-diamine

C9H14N4 — CID 80652857

IUPAC2-N-(1-cyclopropylethyl)pyrazine-2,5-diamine
SMILESCC(Nc1cnc(N)cn1)C1CC1
InChIInChI=1S/C9H14N4/c1-6(7-2-3-7)13-9-5-11-8(10)4-12-9/h4-7H,2-3H2,1H3,(H2,10,11)(H,12,13)
InChIKeyVOCOWFOTIKCBOK-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.27
Rot. Bonds3

About 2-N-(1-cyclopropylethyl)pyrazine-2,5-diamine

2-N-(1-cyclopropylethyl)pyrazine-2,5-diamine (PubChem CID 80652857) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 2-N-(1-cyclopropylethyl)pyrazine-2,5-diamine.

Molecular Properties

Compound Name2-N-(1-cyclopropylethyl)pyrazine-2,5-diamine
PubChem CID80652857
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name2-N-(1-cyclopropylethyl)pyrazine-2,5-diamine
SMILESCC(Nc1cnc(N)cn1)C1CC1
InChIInChI=1S/C9H14N4/c1-6(7-2-3-7)13-9-5-11-8(10)4-12-9/h4-7H,2-3H2,1H3,(H2,10,11)(H,12,13)
InChIKeyVOCOWFOTIKCBOK-UHFFFAOYSA-N
XLogP1.27
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1-cyclopropylethyl)pyrazine-2,5-diamine?
The IUPAC name of 2-N-(1-cyclopropylethyl)pyrazine-2,5-diamine (CID 80652857) is 2-N-(1-cyclopropylethyl)pyrazine-2,5-diamine.
What is the SMILES notation for 2-N-(1-cyclopropylethyl)pyrazine-2,5-diamine?
The canonical SMILES for 2-N-(1-cyclopropylethyl)pyrazine-2,5-diamine is CC(Nc1cnc(N)cn1)C1CC1.
What is the InChIKey of 2-N-(1-cyclopropylethyl)pyrazine-2,5-diamine?
The InChIKey is VOCOWFOTIKCBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-6(7-2-3-7)13-9-5-11-8(10)4-12-9/h4-7H,2-3H2,1H3,(H2,10,11)(H,12,13).
What are the key properties of 2-N-(1-cyclopropylethyl)pyrazine-2,5-diamine?
2-N-(1-cyclopropylethyl)pyrazine-2,5-diamine has a molecular weight of 178.24 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-cyclopropylethyl)pyrazine-2,5-diamine is sourced from PubChem (CID 80652857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).