1-[6-[(1S)-1-aminopropyl]-3-pyridinyl]imidazole-4,5-dicarbonitrile

C13H12N6 — CID 103940288

IUPAC1-[6-[(1S)-1-aminopropyl]-3-pyridinyl]imidazole-4,5-dicarbonitrile
SMILESCC[C@H](N)c1ccc(-n2cnc(C#N)c2C#N)cn1
InChIInChI=1S/C13H12N6/c1-2-10(16)11-4-3-9(7-17-11)19-8-18-12(5-14)13(19)6-15/h3-4,7-8,10H,2,16H2,1H3/t10-/m0/s1
InChIKeyWYTLWZAAQKXGOR-JTQLQIEISA-N
MW252.28 g/mol
LogP1.42
Rot. Bonds3

About 1-[6-[(1S)-1-aminopropyl]-3-pyridinyl]imidazole-4,5-dicarbonitrile

1-[6-[(1S)-1-aminopropyl]-3-pyridinyl]imidazole-4,5-dicarbonitrile (PubChem CID 103940288) has the molecular formula C13H12N6 and a molecular weight of 252.28 g/mol. Its IUPAC name is 1-[6-[(1S)-1-aminopropyl]-3-pyridinyl]imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name1-[6-[(1S)-1-aminopropyl]-3-pyridinyl]imidazole-4,5-dicarbonitrile
PubChem CID103940288
Molecular FormulaC13H12N6
Molecular Weight252.28 g/mol
Exact Mass252.11
IUPAC Name1-[6-[(1S)-1-aminopropyl]-3-pyridinyl]imidazole-4,5-dicarbonitrile
SMILESCC[C@H](N)c1ccc(-n2cnc(C#N)c2C#N)cn1
InChIInChI=1S/C13H12N6/c1-2-10(16)11-4-3-9(7-17-11)19-8-18-12(5-14)13(19)6-15/h3-4,7-8,10H,2,16H2,1H3/t10-/m0/s1
InChIKeyWYTLWZAAQKXGOR-JTQLQIEISA-N
XLogP1.42
TPSA104.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[6-[(1R)-1-aminopropyl]-3-pyridinyl]imidazole-4,5-dicarbonitrile
CID 103940293
1-[6-[1-(ethylamino)propyl]-3-pyridinyl]imidazole-4,5-dicarbonitrile
CID 115944749
1-[2-(1-aminopropyl)phenyl]imidazole-4,5-dicarbonitrile
CID 112678375
1-[4-[(1R)-1-aminoethyl]phenyl]imidazole-4,5-dicarbonitrile
CID 113355659
(1R)-1-[5-(benzimidazol-1-yl)-2-pyridinyl]propan-1-amine
CID 103937579
(1S)-1-[5-(3,4-dimethylpyrrolidin-1-yl)-2-pyridinyl]propan-1-amine
CID 113355142
1-[4-[(tert-butylamino)methyl]phenyl]imidazole-4,5-dicarbonitrile
CID 115944857
4-[6-[(1R)-1-aminopropyl]-3-pyridinyl]morpholine-2-carbonitrile
CID 113355148
(1R)-1-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]propan-1-amine
CID 113355072
(1S)-1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]propan-1-amine
CID 103936871
1-[6-[(1R)-1-aminopropyl]-3-pyridinyl]piperidin-4-ol
CID 103936925
1-[5-(1-oxo-1,4-thiazinan-4-yl)-2-pyridinyl]propan-1-amine
CID 112584315

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(1S)-1-aminopropyl]-3-pyridinyl]imidazole-4,5-dicarbonitrile?
The IUPAC name of 1-[6-[(1S)-1-aminopropyl]-3-pyridinyl]imidazole-4,5-dicarbonitrile (CID 103940288) is 1-[6-[(1S)-1-aminopropyl]-3-pyridinyl]imidazole-4,5-dicarbonitrile.
What is the SMILES notation for 1-[6-[(1S)-1-aminopropyl]-3-pyridinyl]imidazole-4,5-dicarbonitrile?
The canonical SMILES for 1-[6-[(1S)-1-aminopropyl]-3-pyridinyl]imidazole-4,5-dicarbonitrile is CC[C@H](N)c1ccc(-n2cnc(C#N)c2C#N)cn1.
What is the InChIKey of 1-[6-[(1S)-1-aminopropyl]-3-pyridinyl]imidazole-4,5-dicarbonitrile?
The InChIKey is WYTLWZAAQKXGOR-JTQLQIEISA-N. The full InChI is InChI=1S/C13H12N6/c1-2-10(16)11-4-3-9(7-17-11)19-8-18-12(5-14)13(19)6-15/h3-4,7-8,10H,2,16H2,1H3/t10-/m0/s1.
What are the key properties of 1-[6-[(1S)-1-aminopropyl]-3-pyridinyl]imidazole-4,5-dicarbonitrile?
1-[6-[(1S)-1-aminopropyl]-3-pyridinyl]imidazole-4,5-dicarbonitrile has a molecular weight of 252.28 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(1S)-1-aminopropyl]-3-pyridinyl]imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 103940288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).