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

C10H10N6 — CID 155676495

IUPAC6-[5-[(1S)-1-aminoethyl]-1,2,4-triazol-1-yl]pyridine-3-carbonitrile
SMILESC[C@H](N)c1ncnn1-c1ccc(C#N)cn1
InChIInChI=1S/C10H10N6/c1-7(12)10-14-6-15-16(10)9-3-2-8(4-11)5-13-9/h2-3,5-7H,12H2,1H3/t7-/m0/s1
InChIKeyOYIRNPPNJCEFPK-ZETCQYMHSA-N
MW214.23 g/mol
LogP0.55
Rot. Bonds2

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

6-[5-[(1S)-1-aminoethyl]-1,2,4-triazol-1-yl]pyridine-3-carbonitrile (PubChem CID 155676495) has the molecular formula C10H10N6 and a molecular weight of 214.23 g/mol. Its IUPAC name is 6-[5-[(1S)-1-aminoethyl]-1,2,4-triazol-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[5-[(1S)-1-aminoethyl]-1,2,4-triazol-1-yl]pyridine-3-carbonitrile
PubChem CID155676495
Molecular FormulaC10H10N6
Molecular Weight214.23 g/mol
Exact Mass214.10
IUPAC Name6-[5-[(1S)-1-aminoethyl]-1,2,4-triazol-1-yl]pyridine-3-carbonitrile
SMILESC[C@H](N)c1ncnn1-c1ccc(C#N)cn1
InChIInChI=1S/C10H10N6/c1-7(12)10-14-6-15-16(10)9-3-2-8(4-11)5-13-9/h2-3,5-7H,12H2,1H3/t7-/m0/s1
InChIKeyOYIRNPPNJCEFPK-ZETCQYMHSA-N
XLogP0.55
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[5-[(1S)-1-aminoethyl]-1,2,4-triazol-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[5-[(1S)-1-aminoethyl]-1,2,4-triazol-1-yl]pyridine-3-carbonitrile (CID 155676495) is 6-[5-[(1S)-1-aminoethyl]-1,2,4-triazol-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[5-[(1S)-1-aminoethyl]-1,2,4-triazol-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[5-[(1S)-1-aminoethyl]-1,2,4-triazol-1-yl]pyridine-3-carbonitrile is C[C@H](N)c1ncnn1-c1ccc(C#N)cn1.
What is the InChIKey of 6-[5-[(1S)-1-aminoethyl]-1,2,4-triazol-1-yl]pyridine-3-carbonitrile?
The InChIKey is OYIRNPPNJCEFPK-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H10N6/c1-7(12)10-14-6-15-16(10)9-3-2-8(4-11)5-13-9/h2-3,5-7H,12H2,1H3/t7-/m0/s1.
What are the key properties of 6-[5-[(1S)-1-aminoethyl]-1,2,4-triazol-1-yl]pyridine-3-carbonitrile?
6-[5-[(1S)-1-aminoethyl]-1,2,4-triazol-1-yl]pyridine-3-carbonitrile has a molecular weight of 214.23 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[(1S)-1-aminoethyl]-1,2,4-triazol-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 155676495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).