(1S)-1-[2-(5-iodo-2-pyridinyl)-1,2,4-triazol-3-yl]ethanamine

C9H10IN5 — CID 167507554

IUPAC(1S)-1-[2-(5-iodo-2-pyridinyl)-1,2,4-triazol-3-yl]ethanamine
SMILESC[C@H](N)c1ncnn1-c1ccc(I)cn1
InChIInChI=1S/C9H10IN5/c1-6(11)9-13-5-14-15(9)8-3-2-7(10)4-12-8/h2-6H,11H2,1H3/t6-/m0/s1
InChIKeyFSUPCDWWVAWOLN-LURJTMIESA-N
MW315.12 g/mol
LogP1.29
Rot. Bonds2

About (1S)-1-[2-(5-iodo-2-pyridinyl)-1,2,4-triazol-3-yl]ethanamine

(1S)-1-[2-(5-iodo-2-pyridinyl)-1,2,4-triazol-3-yl]ethanamine (PubChem CID 167507554) has the molecular formula C9H10IN5 and a molecular weight of 315.12 g/mol. Its IUPAC name is (1S)-1-[2-(5-iodo-2-pyridinyl)-1,2,4-triazol-3-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-(5-iodo-2-pyridinyl)-1,2,4-triazol-3-yl]ethanamine
PubChem CID167507554
Molecular FormulaC9H10IN5
Molecular Weight315.12 g/mol
Exact Mass315.00
IUPAC Name(1S)-1-[2-(5-iodo-2-pyridinyl)-1,2,4-triazol-3-yl]ethanamine
SMILESC[C@H](N)c1ncnn1-c1ccc(I)cn1
InChIInChI=1S/C9H10IN5/c1-6(11)9-13-5-14-15(9)8-3-2-7(10)4-12-8/h2-6H,11H2,1H3/t6-/m0/s1
InChIKeyFSUPCDWWVAWOLN-LURJTMIESA-N
XLogP1.29
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.12
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[5-[(1S)-1-aminoethyl]-1,2,4-triazol-1-yl]pyridine-3-carbonitrile
CID 155676495
5-methyl-2-(5-propan-2-yl-1,2,4-triazol-1-yl)pyridine
CID 166878634
2,2,2-trifluoroacetic acid;(1S)-1-[2-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]ethanamine
CID 175898071
2-bromo-5-(5-propan-2-yl-1,2,4-triazol-1-yl)pyrazine
CID 178047135
6-[5-(1-aminoethyl)-3-iodo-1,2,4-triazol-1-yl]pyridine-3-carbonitrile
CID 163283814
1-(2-methyl-1,2,4-triazol-3-yl)ethanamine;hydrochloride
CID 75493804
3-(5-propan-2-yl-1,2,4-triazol-1-yl)-1,2-thiazole
CID 166542000
6-(5-hexan-2-yl-1,2,4-triazol-1-yl)pyridine-3-carbonitrile
CID 170255842
6-(5-ethyl-1,2,4-triazol-1-yl)pyridin-3-amine
CID 174145326
5-iodo-2-piperidin-1-ylpyridine
CID 44721358
4-(5-propan-2-yl-1,2,4-triazol-1-yl)-6-prop-1-en-2-ylpyrimidine
CID 178027940
6-[5-[(1R)-1-aminoethyl]-3-(difluoromethyl)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile
CID 175737083

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(5-iodo-2-pyridinyl)-1,2,4-triazol-3-yl]ethanamine?
The IUPAC name of (1S)-1-[2-(5-iodo-2-pyridinyl)-1,2,4-triazol-3-yl]ethanamine (CID 167507554) is (1S)-1-[2-(5-iodo-2-pyridinyl)-1,2,4-triazol-3-yl]ethanamine.
What is the SMILES notation for (1S)-1-[2-(5-iodo-2-pyridinyl)-1,2,4-triazol-3-yl]ethanamine?
The canonical SMILES for (1S)-1-[2-(5-iodo-2-pyridinyl)-1,2,4-triazol-3-yl]ethanamine is C[C@H](N)c1ncnn1-c1ccc(I)cn1.
What is the InChIKey of (1S)-1-[2-(5-iodo-2-pyridinyl)-1,2,4-triazol-3-yl]ethanamine?
The InChIKey is FSUPCDWWVAWOLN-LURJTMIESA-N. The full InChI is InChI=1S/C9H10IN5/c1-6(11)9-13-5-14-15(9)8-3-2-7(10)4-12-8/h2-6H,11H2,1H3/t6-/m0/s1.
What are the key properties of (1S)-1-[2-(5-iodo-2-pyridinyl)-1,2,4-triazol-3-yl]ethanamine?
(1S)-1-[2-(5-iodo-2-pyridinyl)-1,2,4-triazol-3-yl]ethanamine has a molecular weight of 315.12 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(5-iodo-2-pyridinyl)-1,2,4-triazol-3-yl]ethanamine is sourced from PubChem (CID 167507554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).