5-(3-aminoiodanuidylpropyl)-1H-1,2,4-triazole

C5H10IN4- — CID 140766762

IUPAC5-(3-aminoiodanuidylpropyl)-1H-1,2,4-triazole
SMILESN[I-]CCCc1ncn[nH]1
InChIInChI=1S/C5H10IN4/c7-6-3-1-2-5-8-4-9-10-5/h4H,1-3,7H2,(H,8,9,10)/q-1
InChIKeyDTFJOOHJYAUPHL-UHFFFAOYSA-N
MW253.07 g/mol
LogP-3.30
Rot. Bonds4

About 5-(3-aminoiodanuidylpropyl)-1H-1,2,4-triazole

5-(3-aminoiodanuidylpropyl)-1H-1,2,4-triazole (PubChem CID 140766762) has the molecular formula C5H10IN4- and a molecular weight of 253.07 g/mol. Its IUPAC name is 5-(3-aminoiodanuidylpropyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(3-aminoiodanuidylpropyl)-1H-1,2,4-triazole
PubChem CID140766762
Molecular FormulaC5H10IN4-
Molecular Weight253.07 g/mol
Exact Mass253.00
IUPAC Name5-(3-aminoiodanuidylpropyl)-1H-1,2,4-triazole
SMILESN[I-]CCCc1ncn[nH]1
InChIInChI=1S/C5H10IN4/c7-6-3-1-2-5-8-4-9-10-5/h4H,1-3,7H2,(H,8,9,10)/q-1
InChIKeyDTFJOOHJYAUPHL-UHFFFAOYSA-N
XLogP-3.30
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.07
LogP ≤ 5-3.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

5-[10-(1H-1,2,4-triazol-5-yl)decyl]-1H-1,2,4-triazole
CID 169210020
5-heptadecyl-1H-1,2,4-triazole
CID 558137
1-hydroxy-2-[3-(1H-1,2,4-triazol-5-yl)propyl]guanidine
CID 64524593
5-[5-ethyl-10-(1H-1,2,4-triazol-5-yl)decyl]-1H-1,2,4-triazole
CID 169210026
5-(2-methoxyethyl)-1H-1,2,4-triazole
CID 58490953
3-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrazine-2,3-diamine
CID 102984527
1-amino-3-ethyl-2-[3-(1H-1,2,4-triazol-5-yl)propyl]guanidine
CID 104886918
5-amino-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-pyrazole-4-sulfonamide
CID 64517232
5-methyl-3-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-1,2,4-triazole
CID 169210024
2-methyl-6-(1H-1,2,4-triazol-5-yl)hexan-3-one
CID 159797633
3-phenyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclobutan-1-amine
CID 64548273
N-(3-methylsulfanylpropyl)-3-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 64519754

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoiodanuidylpropyl)-1H-1,2,4-triazole?
The IUPAC name of 5-(3-aminoiodanuidylpropyl)-1H-1,2,4-triazole (CID 140766762) is 5-(3-aminoiodanuidylpropyl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-(3-aminoiodanuidylpropyl)-1H-1,2,4-triazole?
The canonical SMILES for 5-(3-aminoiodanuidylpropyl)-1H-1,2,4-triazole is N[I-]CCCc1ncn[nH]1.
What is the InChIKey of 5-(3-aminoiodanuidylpropyl)-1H-1,2,4-triazole?
The InChIKey is DTFJOOHJYAUPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10IN4/c7-6-3-1-2-5-8-4-9-10-5/h4H,1-3,7H2,(H,8,9,10)/q-1.
What are the key properties of 5-(3-aminoiodanuidylpropyl)-1H-1,2,4-triazole?
5-(3-aminoiodanuidylpropyl)-1H-1,2,4-triazole has a molecular weight of 253.07 g/mol, XLogP of -3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoiodanuidylpropyl)-1H-1,2,4-triazole is sourced from PubChem (CID 140766762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).