6-(aminomethyl)-N-methyl-N-propan-2-ylpyrazin-2-amine

C9H16N4 — CID 66455790

IUPAC6-(aminomethyl)-N-methyl-N-propan-2-ylpyrazin-2-amine
SMILESCC(C)N(C)c1cncc(CN)n1
InChIInChI=1S/C9H16N4/c1-7(2)13(3)9-6-11-5-8(4-10)12-9/h5-7H,4,10H2,1-3H3
InChIKeyMOCOVBGVLZXXDY-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.78
Rot. Bonds3

About 6-(aminomethyl)-N-methyl-N-propan-2-ylpyrazin-2-amine

6-(aminomethyl)-N-methyl-N-propan-2-ylpyrazin-2-amine (PubChem CID 66455790) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 6-(aminomethyl)-N-methyl-N-propan-2-ylpyrazin-2-amine.

Molecular Properties

Compound Name6-(aminomethyl)-N-methyl-N-propan-2-ylpyrazin-2-amine
PubChem CID66455790
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name6-(aminomethyl)-N-methyl-N-propan-2-ylpyrazin-2-amine
SMILESCC(C)N(C)c1cncc(CN)n1
InChIInChI=1S/C9H16N4/c1-7(2)13(3)9-6-11-5-8(4-10)12-9/h5-7H,4,10H2,1-3H3
InChIKeyMOCOVBGVLZXXDY-UHFFFAOYSA-N
XLogP0.78
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-N-methyl-N-propan-2-ylpyrazin-2-amine?
The IUPAC name of 6-(aminomethyl)-N-methyl-N-propan-2-ylpyrazin-2-amine (CID 66455790) is 6-(aminomethyl)-N-methyl-N-propan-2-ylpyrazin-2-amine.
What is the SMILES notation for 6-(aminomethyl)-N-methyl-N-propan-2-ylpyrazin-2-amine?
The canonical SMILES for 6-(aminomethyl)-N-methyl-N-propan-2-ylpyrazin-2-amine is CC(C)N(C)c1cncc(CN)n1.
What is the InChIKey of 6-(aminomethyl)-N-methyl-N-propan-2-ylpyrazin-2-amine?
The InChIKey is MOCOVBGVLZXXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-7(2)13(3)9-6-11-5-8(4-10)12-9/h5-7H,4,10H2,1-3H3.
What are the key properties of 6-(aminomethyl)-N-methyl-N-propan-2-ylpyrazin-2-amine?
6-(aminomethyl)-N-methyl-N-propan-2-ylpyrazin-2-amine has a molecular weight of 180.25 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-N-methyl-N-propan-2-ylpyrazin-2-amine is sourced from PubChem (CID 66455790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).