5-amino-2-butan-2-ylsulfanylpyridine-3-carbonitrile

C10H13N3S — CID 60923566

IUPAC5-amino-2-butan-2-ylsulfanylpyridine-3-carbonitrile
SMILESCCC(C)Sc1ncc(N)cc1C#N
InChIInChI=1S/C10H13N3S/c1-3-7(2)14-10-8(5-11)4-9(12)6-13-10/h4,6-7H,3,12H2,1-2H3
InChIKeyOLYPBSCMRHFSKF-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.43
Rot. Bonds3

About 5-amino-2-butan-2-ylsulfanylpyridine-3-carbonitrile

5-amino-2-butan-2-ylsulfanylpyridine-3-carbonitrile (PubChem CID 60923566) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is 5-amino-2-butan-2-ylsulfanylpyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-2-butan-2-ylsulfanylpyridine-3-carbonitrile
PubChem CID60923566
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC Name5-amino-2-butan-2-ylsulfanylpyridine-3-carbonitrile
SMILESCCC(C)Sc1ncc(N)cc1C#N
InChIInChI=1S/C10H13N3S/c1-3-7(2)14-10-8(5-11)4-9(12)6-13-10/h4,6-7H,3,12H2,1-2H3
InChIKeyOLYPBSCMRHFSKF-UHFFFAOYSA-N
XLogP2.43
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-2-butan-2-ylsulfanylpyrimidine-5-carbonitrile
CID 130650777
2-(1-hydroxypropan-2-ylsulfanyl)-5-nitropyridine-3-carbonitrile
CID 115659083
5-amino-2-[ethyl(2-methylbutyl)amino]pyridine-3-carbonitrile
CID 79477729
5-amino-2-(4-methylpentan-2-yloxy)pyridine-3-carbonitrile
CID 60921731
5-amino-2-[(2-methylphenyl)methylsulfanyl]pyridine-3-carbonitrile
CID 62771404
5-amino-2-[butan-2-yl(butyl)amino]pyridine-3-carbonitrile
CID 55005204
5-amino-2-(propan-2-ylamino)pyridine-3-carbonitrile
CID 60922622
ethyl 2-[(5-amino-3-cyano-2-pyridinyl)amino]propanoate
CID 54960433
5-amino-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carbonitrile
CID 63538721
5-amino-2-(3-methylphenyl)sulfanylpyridine-3-carbonitrile
CID 61243425
5-amino-2-(4-methylpyrimidin-2-yl)sulfanylpyridine-3-carbonitrile
CID 55053717
5-amino-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carbonitrile
CID 60924910

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-butan-2-ylsulfanylpyridine-3-carbonitrile?
The IUPAC name of 5-amino-2-butan-2-ylsulfanylpyridine-3-carbonitrile (CID 60923566) is 5-amino-2-butan-2-ylsulfanylpyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-2-butan-2-ylsulfanylpyridine-3-carbonitrile?
The canonical SMILES for 5-amino-2-butan-2-ylsulfanylpyridine-3-carbonitrile is CCC(C)Sc1ncc(N)cc1C#N.
What is the InChIKey of 5-amino-2-butan-2-ylsulfanylpyridine-3-carbonitrile?
The InChIKey is OLYPBSCMRHFSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1-3-7(2)14-10-8(5-11)4-9(12)6-13-10/h4,6-7H,3,12H2,1-2H3.
What are the key properties of 5-amino-2-butan-2-ylsulfanylpyridine-3-carbonitrile?
5-amino-2-butan-2-ylsulfanylpyridine-3-carbonitrile has a molecular weight of 207.30 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-butan-2-ylsulfanylpyridine-3-carbonitrile is sourced from PubChem (CID 60923566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).