3-[(3-chloropyrazin-2-yl)amino]-2-methylbutan-2-ol

C9H14ClN3O — CID 131010704

IUPAC3-[(3-chloropyrazin-2-yl)amino]-2-methylbutan-2-ol
SMILESCC(Nc1nccnc1Cl)C(C)(C)O
InChIInChI=1S/C9H14ClN3O/c1-6(9(2,3)14)13-8-7(10)11-4-5-12-8/h4-6,14H,1-3H3,(H,12,13)
InChIKeyKSACURZMGNCZCQ-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.70
Rot. Bonds3

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

3-[(3-chloropyrazin-2-yl)amino]-2-methylbutan-2-ol (PubChem CID 131010704) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is 3-[(3-chloropyrazin-2-yl)amino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name3-[(3-chloropyrazin-2-yl)amino]-2-methylbutan-2-ol
PubChem CID131010704
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC Name3-[(3-chloropyrazin-2-yl)amino]-2-methylbutan-2-ol
SMILESCC(Nc1nccnc1Cl)C(C)(C)O
InChIInChI=1S/C9H14ClN3O/c1-6(9(2,3)14)13-8-7(10)11-4-5-12-8/h4-6,14H,1-3H3,(H,12,13)
InChIKeyKSACURZMGNCZCQ-UHFFFAOYSA-N
XLogP1.70
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-chloro-3-pyridinyl)amino]-2-methylbutan-2-ol
CID 65338181
3-[(3-fluoro-2-pyridinyl)amino]-2-methylbutan-2-ol
CID 130892998
N-but-3-en-2-yl-3-chloropyrazin-2-amine
CID 106195760
N-(3-chloropyrazin-2-yl)-2,3-dimethylbutanamide
CID 102989622
3-(3,4-dichloroanilino)-2-methylbutan-2-ol
CID 65333174
3-[(1-ethylimidazol-2-yl)amino]-2-methylbutan-2-ol
CID 127013523
2-methyl-3-(2,4,6-trichloroanilino)butan-2-ol
CID 65332741
1-[(3-chloropyrazin-2-yl)amino]propan-2-one
CID 15149679
3-[(5-aminopyrimidin-2-yl)amino]-2-methylbutan-2-ol
CID 130865428
3-chloro-N-(2-methylprop-2-enyl)pyrazin-2-amine
CID 106196773
3-[(3-chloropyrazin-2-yl)amino]propane-1,2-diol
CID 66169969
2-[(3-chloropyrazin-2-yl)amino]hexanoic acid
CID 121204712

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloropyrazin-2-yl)amino]-2-methylbutan-2-ol?
The IUPAC name of 3-[(3-chloropyrazin-2-yl)amino]-2-methylbutan-2-ol (CID 131010704) is 3-[(3-chloropyrazin-2-yl)amino]-2-methylbutan-2-ol.
What is the SMILES notation for 3-[(3-chloropyrazin-2-yl)amino]-2-methylbutan-2-ol?
The canonical SMILES for 3-[(3-chloropyrazin-2-yl)amino]-2-methylbutan-2-ol is CC(Nc1nccnc1Cl)C(C)(C)O.
What is the InChIKey of 3-[(3-chloropyrazin-2-yl)amino]-2-methylbutan-2-ol?
The InChIKey is KSACURZMGNCZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O/c1-6(9(2,3)14)13-8-7(10)11-4-5-12-8/h4-6,14H,1-3H3,(H,12,13).
What are the key properties of 3-[(3-chloropyrazin-2-yl)amino]-2-methylbutan-2-ol?
3-[(3-chloropyrazin-2-yl)amino]-2-methylbutan-2-ol has a molecular weight of 215.68 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloropyrazin-2-yl)amino]-2-methylbutan-2-ol is sourced from PubChem (CID 131010704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).