6-[5-(1-aminoethyl)-3-iodo-1,2,4-triazol-1-yl]pyridine-3-carbonitrile

C10H9IN6 — CID 163283814

IUPAC6-[5-(1-aminoethyl)-3-iodo-1,2,4-triazol-1-yl]pyridine-3-carbonitrile
SMILESCC(N)c1nc(I)nn1-c1ccc(C#N)cn1
InChIInChI=1S/C10H9IN6/c1-6(13)9-15-10(11)16-17(9)8-3-2-7(4-12)5-14-8/h2-3,5-6H,13H2,1H3
InChIKeyLXLZHORADSMWSJ-UHFFFAOYSA-N
MW340.13 g/mol
LogP1.16
Rot. Bonds2

About 6-[5-(1-aminoethyl)-3-iodo-1,2,4-triazol-1-yl]pyridine-3-carbonitrile

6-[5-(1-aminoethyl)-3-iodo-1,2,4-triazol-1-yl]pyridine-3-carbonitrile (PubChem CID 163283814) has the molecular formula C10H9IN6 and a molecular weight of 340.13 g/mol. Its IUPAC name is 6-[5-(1-aminoethyl)-3-iodo-1,2,4-triazol-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[5-(1-aminoethyl)-3-iodo-1,2,4-triazol-1-yl]pyridine-3-carbonitrile
PubChem CID163283814
Molecular FormulaC10H9IN6
Molecular Weight340.13 g/mol
Exact Mass339.99
IUPAC Name6-[5-(1-aminoethyl)-3-iodo-1,2,4-triazol-1-yl]pyridine-3-carbonitrile
SMILESCC(N)c1nc(I)nn1-c1ccc(C#N)cn1
InChIInChI=1S/C10H9IN6/c1-6(13)9-15-10(11)16-17(9)8-3-2-7(4-12)5-14-8/h2-3,5-6H,13H2,1H3
InChIKeyLXLZHORADSMWSJ-UHFFFAOYSA-N
XLogP1.16
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.13
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

6-[5-[(1R)-1-aminoethyl]-3-(difluoromethyl)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile
CID 175737083
6-[5-[(1S)-1-aminoethyl]-1,2,4-triazol-1-yl]pyridine-3-carbonitrile
CID 155676495
N-[1-[2-(5-cyano-2-pyridinyl)-5-propyl-1,2,4-triazol-3-yl]ethyl]formamide
CID 166878613
6-(3-propan-2-ylpyrrolidin-1-yl)pyridine-3-carbonitrile
CID 112698394
6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 58431342
6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridine-3-carbonitrile
CID 62129175
6-(5-hexan-2-yl-1,2,4-triazol-1-yl)pyridine-3-carbonitrile
CID 170255842
3-bromo-5-cyano-N-[(1S)-1-[2-(5-cyano-2-pyridinyl)-5-propan-2-yl-1,2,4-triazol-3-yl]ethyl]benzamide
CID 164936065
(1R)-1-[2-(5-chloro-2-pyridinyl)-5-(6-chloro-3-pyridinyl)-1,2,4-triazol-3-yl]ethanamine
CID 175779414
2-[1-(5-cyano-2-pyridinyl)azetidin-3-yl]propanoic acid
CID 116681902
6-[2-(1-aminoethyl)morpholin-4-yl]pyridine-3-carbonitrile
CID 115315787
6-(4-methylazepan-1-yl)pyridine-3-carbonitrile
CID 62045126

Frequently Asked Questions

What is the IUPAC name of 6-[5-(1-aminoethyl)-3-iodo-1,2,4-triazol-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[5-(1-aminoethyl)-3-iodo-1,2,4-triazol-1-yl]pyridine-3-carbonitrile (CID 163283814) is 6-[5-(1-aminoethyl)-3-iodo-1,2,4-triazol-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[5-(1-aminoethyl)-3-iodo-1,2,4-triazol-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[5-(1-aminoethyl)-3-iodo-1,2,4-triazol-1-yl]pyridine-3-carbonitrile is CC(N)c1nc(I)nn1-c1ccc(C#N)cn1.
What is the InChIKey of 6-[5-(1-aminoethyl)-3-iodo-1,2,4-triazol-1-yl]pyridine-3-carbonitrile?
The InChIKey is LXLZHORADSMWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IN6/c1-6(13)9-15-10(11)16-17(9)8-3-2-7(4-12)5-14-8/h2-3,5-6H,13H2,1H3.
What are the key properties of 6-[5-(1-aminoethyl)-3-iodo-1,2,4-triazol-1-yl]pyridine-3-carbonitrile?
6-[5-(1-aminoethyl)-3-iodo-1,2,4-triazol-1-yl]pyridine-3-carbonitrile has a molecular weight of 340.13 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(1-aminoethyl)-3-iodo-1,2,4-triazol-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 163283814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).