3-N-(3-methylpentan-3-yl)pyrazine-2,3-diamine

C10H18N4 — CID 106331964

IUPAC3-N-(3-methylpentan-3-yl)pyrazine-2,3-diamine
SMILESCCC(C)(CC)Nc1nccnc1N
InChIInChI=1S/C10H18N4/c1-4-10(3,5-2)14-9-8(11)12-6-7-13-9/h6-7H,4-5H2,1-3H3,(H2,11,12)(H,13,14)
InChIKeyWGOIDFUHFCADNK-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.05
Rot. Bonds4

About 3-N-(3-methylpentan-3-yl)pyrazine-2,3-diamine

3-N-(3-methylpentan-3-yl)pyrazine-2,3-diamine (PubChem CID 106331964) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-N-(3-methylpentan-3-yl)pyrazine-2,3-diamine.

Molecular Properties

Compound Name3-N-(3-methylpentan-3-yl)pyrazine-2,3-diamine
PubChem CID106331964
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name3-N-(3-methylpentan-3-yl)pyrazine-2,3-diamine
SMILESCCC(C)(CC)Nc1nccnc1N
InChIInChI=1S/C10H18N4/c1-4-10(3,5-2)14-9-8(11)12-6-7-13-9/h6-7H,4-5H2,1-3H3,(H2,11,12)(H,13,14)
InChIKeyWGOIDFUHFCADNK-UHFFFAOYSA-N
XLogP2.05
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-(3-methylpentan-3-yl)pyrazine-2,3-diamine?
The IUPAC name of 3-N-(3-methylpentan-3-yl)pyrazine-2,3-diamine (CID 106331964) is 3-N-(3-methylpentan-3-yl)pyrazine-2,3-diamine.
What is the SMILES notation for 3-N-(3-methylpentan-3-yl)pyrazine-2,3-diamine?
The canonical SMILES for 3-N-(3-methylpentan-3-yl)pyrazine-2,3-diamine is CCC(C)(CC)Nc1nccnc1N.
What is the InChIKey of 3-N-(3-methylpentan-3-yl)pyrazine-2,3-diamine?
The InChIKey is WGOIDFUHFCADNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-4-10(3,5-2)14-9-8(11)12-6-7-13-9/h6-7H,4-5H2,1-3H3,(H2,11,12)(H,13,14).
What are the key properties of 3-N-(3-methylpentan-3-yl)pyrazine-2,3-diamine?
3-N-(3-methylpentan-3-yl)pyrazine-2,3-diamine has a molecular weight of 194.28 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-methylpentan-3-yl)pyrazine-2,3-diamine is sourced from PubChem (CID 106331964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).