3-N-methyl-3-N-pyrazin-2-ylbutane-1,3-diamine

C9H16N4 — CID 63225624

IUPAC3-N-methyl-3-N-pyrazin-2-ylbutane-1,3-diamine
SMILESCC(CCN)N(C)c1cnccn1
InChIInChI=1S/C9H16N4/c1-8(3-4-10)13(2)9-7-11-5-6-12-9/h5-8H,3-4,10H2,1-2H3
InChIKeyVHBWRARGLQTHBT-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.65
Rot. Bonds4

About 3-N-methyl-3-N-pyrazin-2-ylbutane-1,3-diamine

3-N-methyl-3-N-pyrazin-2-ylbutane-1,3-diamine (PubChem CID 63225624) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-N-methyl-3-N-pyrazin-2-ylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-methyl-3-N-pyrazin-2-ylbutane-1,3-diamine
PubChem CID63225624
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name3-N-methyl-3-N-pyrazin-2-ylbutane-1,3-diamine
SMILESCC(CCN)N(C)c1cnccn1
InChIInChI=1S/C9H16N4/c1-8(3-4-10)13(2)9-7-11-5-6-12-9/h5-8H,3-4,10H2,1-2H3
InChIKeyVHBWRARGLQTHBT-UHFFFAOYSA-N
XLogP0.65
TPSA55.04 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 ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-3-N-pyrazin-2-ylbutane-1,3-diamine?
The IUPAC name of 3-N-methyl-3-N-pyrazin-2-ylbutane-1,3-diamine (CID 63225624) is 3-N-methyl-3-N-pyrazin-2-ylbutane-1,3-diamine.
What is the SMILES notation for 3-N-methyl-3-N-pyrazin-2-ylbutane-1,3-diamine?
The canonical SMILES for 3-N-methyl-3-N-pyrazin-2-ylbutane-1,3-diamine is CC(CCN)N(C)c1cnccn1.
What is the InChIKey of 3-N-methyl-3-N-pyrazin-2-ylbutane-1,3-diamine?
The InChIKey is VHBWRARGLQTHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-8(3-4-10)13(2)9-7-11-5-6-12-9/h5-8H,3-4,10H2,1-2H3.
What are the key properties of 3-N-methyl-3-N-pyrazin-2-ylbutane-1,3-diamine?
3-N-methyl-3-N-pyrazin-2-ylbutane-1,3-diamine has a molecular weight of 180.25 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-3-N-pyrazin-2-ylbutane-1,3-diamine is sourced from PubChem (CID 63225624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).