5-amino-2-(propan-2-ylamino)pyridine-3-carbonitrile

C9H12N4 — CID 60922622

IUPAC5-amino-2-(propan-2-ylamino)pyridine-3-carbonitrile
SMILESCC(C)Nc1ncc(N)cc1C#N
InChIInChI=1S/C9H12N4/c1-6(2)13-9-7(4-10)3-8(11)5-12-9/h3,5-6H,11H2,1-2H3,(H,12,13)
InChIKeyMEDSIKCDNOUZLX-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.36
Rot. Bonds2

About 5-amino-2-(propan-2-ylamino)pyridine-3-carbonitrile

5-amino-2-(propan-2-ylamino)pyridine-3-carbonitrile (PubChem CID 60922622) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 5-amino-2-(propan-2-ylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-2-(propan-2-ylamino)pyridine-3-carbonitrile
PubChem CID60922622
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name5-amino-2-(propan-2-ylamino)pyridine-3-carbonitrile
SMILESCC(C)Nc1ncc(N)cc1C#N
InChIInChI=1S/C9H12N4/c1-6(2)13-9-7(4-10)3-8(11)5-12-9/h3,5-6H,11H2,1-2H3,(H,12,13)
InChIKeyMEDSIKCDNOUZLX-UHFFFAOYSA-N
XLogP1.36
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(propan-2-ylamino)pyridine-3-carbonitrile?
The IUPAC name of 5-amino-2-(propan-2-ylamino)pyridine-3-carbonitrile (CID 60922622) is 5-amino-2-(propan-2-ylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-2-(propan-2-ylamino)pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-2-(propan-2-ylamino)pyridine-3-carbonitrile is CC(C)Nc1ncc(N)cc1C#N.
What is the InChIKey of 5-amino-2-(propan-2-ylamino)pyridine-3-carbonitrile?
The InChIKey is MEDSIKCDNOUZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-6(2)13-9-7(4-10)3-8(11)5-12-9/h3,5-6H,11H2,1-2H3,(H,12,13).
What are the key properties of 5-amino-2-(propan-2-ylamino)pyridine-3-carbonitrile?
5-amino-2-(propan-2-ylamino)pyridine-3-carbonitrile has a molecular weight of 176.22 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(propan-2-ylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 60922622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).