1-[(3-aminopyrazin-2-yl)amino]-3-methylbutan-2-ol

C9H16N4O — CID 102987342

IUPAC1-[(3-aminopyrazin-2-yl)amino]-3-methylbutan-2-ol
SMILESCC(C)C(O)CNc1nccnc1N
InChIInChI=1S/C9H16N4O/c1-6(2)7(14)5-13-9-8(10)11-3-4-12-9/h3-4,6-7,14H,5H2,1-2H3,(H2,10,11)(H,12,13)
InChIKeyYRARZWYIONPKQI-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.49
Rot. Bonds4

About 1-[(3-aminopyrazin-2-yl)amino]-3-methylbutan-2-ol

1-[(3-aminopyrazin-2-yl)amino]-3-methylbutan-2-ol (PubChem CID 102987342) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-[(3-aminopyrazin-2-yl)amino]-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-[(3-aminopyrazin-2-yl)amino]-3-methylbutan-2-ol
PubChem CID102987342
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name1-[(3-aminopyrazin-2-yl)amino]-3-methylbutan-2-ol
SMILESCC(C)C(O)CNc1nccnc1N
InChIInChI=1S/C9H16N4O/c1-6(2)7(14)5-13-9-8(10)11-3-4-12-9/h3-4,6-7,14H,5H2,1-2H3,(H2,10,11)(H,12,13)
InChIKeyYRARZWYIONPKQI-UHFFFAOYSA-N
XLogP0.49
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-aminopyrazin-2-yl)amino]-3-methylbutan-2-ol?
The IUPAC name of 1-[(3-aminopyrazin-2-yl)amino]-3-methylbutan-2-ol (CID 102987342) is 1-[(3-aminopyrazin-2-yl)amino]-3-methylbutan-2-ol.
What is the SMILES notation for 1-[(3-aminopyrazin-2-yl)amino]-3-methylbutan-2-ol?
The canonical SMILES for 1-[(3-aminopyrazin-2-yl)amino]-3-methylbutan-2-ol is CC(C)C(O)CNc1nccnc1N.
What is the InChIKey of 1-[(3-aminopyrazin-2-yl)amino]-3-methylbutan-2-ol?
The InChIKey is YRARZWYIONPKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-6(2)7(14)5-13-9-8(10)11-3-4-12-9/h3-4,6-7,14H,5H2,1-2H3,(H2,10,11)(H,12,13).
What are the key properties of 1-[(3-aminopyrazin-2-yl)amino]-3-methylbutan-2-ol?
1-[(3-aminopyrazin-2-yl)amino]-3-methylbutan-2-ol has a molecular weight of 196.25 g/mol, XLogP of 0.49, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-aminopyrazin-2-yl)amino]-3-methylbutan-2-ol is sourced from PubChem (CID 102987342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).