2-N-(6-chloropyrazin-2-yl)-3-methylbutane-1,2-diamine

C9H15ClN4 — CID 116650856

IUPAC2-N-(6-chloropyrazin-2-yl)-3-methylbutane-1,2-diamine
SMILESCC(C)C(CN)Nc1cncc(Cl)n1
InChIInChI=1S/C9H15ClN4/c1-6(2)7(3-11)13-9-5-12-4-8(10)14-9/h4-7H,3,11H2,1-2H3,(H,13,14)
InChIKeyWHESFJBFBLEHTJ-UHFFFAOYSA-N
MW214.70 g/mol
LogP1.53
Rot. Bonds4

About 2-N-(6-chloropyrazin-2-yl)-3-methylbutane-1,2-diamine

2-N-(6-chloropyrazin-2-yl)-3-methylbutane-1,2-diamine (PubChem CID 116650856) has the molecular formula C9H15ClN4 and a molecular weight of 214.70 g/mol. Its IUPAC name is 2-N-(6-chloropyrazin-2-yl)-3-methylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(6-chloropyrazin-2-yl)-3-methylbutane-1,2-diamine
PubChem CID116650856
Molecular FormulaC9H15ClN4
Molecular Weight214.70 g/mol
Exact Mass214.10
IUPAC Name2-N-(6-chloropyrazin-2-yl)-3-methylbutane-1,2-diamine
SMILESCC(C)C(CN)Nc1cncc(Cl)n1
InChIInChI=1S/C9H15ClN4/c1-6(2)7(3-11)13-9-5-12-4-8(10)14-9/h4-7H,3,11H2,1-2H3,(H,13,14)
InChIKeyWHESFJBFBLEHTJ-UHFFFAOYSA-N
XLogP1.53
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(6-chloropyrazin-2-yl)-3-methylbutane-1,2-diamine?
The IUPAC name of 2-N-(6-chloropyrazin-2-yl)-3-methylbutane-1,2-diamine (CID 116650856) is 2-N-(6-chloropyrazin-2-yl)-3-methylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(6-chloropyrazin-2-yl)-3-methylbutane-1,2-diamine?
The canonical SMILES for 2-N-(6-chloropyrazin-2-yl)-3-methylbutane-1,2-diamine is CC(C)C(CN)Nc1cncc(Cl)n1.
What is the InChIKey of 2-N-(6-chloropyrazin-2-yl)-3-methylbutane-1,2-diamine?
The InChIKey is WHESFJBFBLEHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN4/c1-6(2)7(3-11)13-9-5-12-4-8(10)14-9/h4-7H,3,11H2,1-2H3,(H,13,14).
What are the key properties of 2-N-(6-chloropyrazin-2-yl)-3-methylbutane-1,2-diamine?
2-N-(6-chloropyrazin-2-yl)-3-methylbutane-1,2-diamine has a molecular weight of 214.70 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(6-chloropyrazin-2-yl)-3-methylbutane-1,2-diamine is sourced from PubChem (CID 116650856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).