5-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]pentan-1-ol

C9H14N6O2 — CID 595972

IUPAC5-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]pentan-1-ol
SMILESNc1nonc1-c1n[nH]c(CCCCCO)n1
InChIInChI=1S/C9H14N6O2/c10-8-7(14-17-15-8)9-11-6(12-13-9)4-2-1-3-5-16/h16H,1-5H2,(H2,10,15)(H,11,12,13)
InChIKeyQAHVFRXJZYWITP-UHFFFAOYSA-N
MW238.25 g/mol
LogP0.14
Rot. Bonds6

About 5-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]pentan-1-ol

5-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]pentan-1-ol (PubChem CID 595972) has the molecular formula C9H14N6O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 5-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]pentan-1-ol.

Molecular Properties

Compound Name5-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]pentan-1-ol
PubChem CID595972
Molecular FormulaC9H14N6O2
Molecular Weight238.25 g/mol
Exact Mass238.12
IUPAC Name5-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]pentan-1-ol
SMILESNc1nonc1-c1n[nH]c(CCCCCO)n1
InChIInChI=1S/C9H14N6O2/c10-8-7(14-17-15-8)9-11-6(12-13-9)4-2-1-3-5-16/h16H,1-5H2,(H2,10,15)(H,11,12,13)
InChIKeyQAHVFRXJZYWITP-UHFFFAOYSA-N
XLogP0.14
TPSA126.74 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-Amino-4-(5-methoxymethyl-1,2,4-triazol-3-yl)-furazan
CID 126478395
4-(5-propyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine
CID 62807499

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]pentan-1-ol?
The IUPAC name of 5-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]pentan-1-ol (CID 595972) is 5-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]pentan-1-ol.
What is the SMILES notation for 5-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]pentan-1-ol?
The canonical SMILES for 5-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]pentan-1-ol is Nc1nonc1-c1n[nH]c(CCCCCO)n1.
What is the InChIKey of 5-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]pentan-1-ol?
The InChIKey is QAHVFRXJZYWITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O2/c10-8-7(14-17-15-8)9-11-6(12-13-9)4-2-1-3-5-16/h16H,1-5H2,(H2,10,15)(H,11,12,13).
What are the key properties of 5-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]pentan-1-ol?
5-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]pentan-1-ol has a molecular weight of 238.25 g/mol, XLogP of 0.14, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]pentan-1-ol is sourced from PubChem (CID 595972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).