5-(1H-1,2,4-triazol-5-yl)pentanal

C7H11N3O — CID 23284937

IUPAC5-(1H-1,2,4-triazol-5-yl)pentanal
SMILESO=CCCCCc1ncn[nH]1
InChIInChI=1S/C7H11N3O/c11-5-3-1-2-4-7-8-6-9-10-7/h5-6H,1-4H2,(H,8,9,10)
InChIKeySUKYUBVFPLQJSY-UHFFFAOYSA-N
MW153.19 g/mol
LogP0.72
Rot. Bonds5

About 5-(1H-1,2,4-triazol-5-yl)pentanal

5-(1H-1,2,4-triazol-5-yl)pentanal (PubChem CID 23284937) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 5-(1H-1,2,4-triazol-5-yl)pentanal.

Molecular Properties

Compound Name5-(1H-1,2,4-triazol-5-yl)pentanal
PubChem CID23284937
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name5-(1H-1,2,4-triazol-5-yl)pentanal
SMILESO=CCCCCc1ncn[nH]1
InChIInChI=1S/C7H11N3O/c11-5-3-1-2-4-7-8-6-9-10-7/h5-6H,1-4H2,(H,8,9,10)
InChIKeySUKYUBVFPLQJSY-UHFFFAOYSA-N
XLogP0.72
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1H-1,2,4-triazol-5-yl)hexan-2-one
CID 20136533
2-(1H-1,2,4-triazol-3-yl)acetaldehyde
CID 21417244
3-(1H-1,2,4-triazol-3-yl)propanal
CID 23284967
2-(1H-1,2,4-triazol-3-yl)propanal
CID 23285057
6-(1H-1,2,4-triazol-5-yl)hexanal
CID 23285079
1-(1H-1,2,4-triazol-5-yl)pentan-3-one
CID 53852693
4-(1h-1,2,4-Triazol-3-yl)butan-2-one
CID 59733413
1-(1H-1,2,4-triazol-5-yl)pentan-2-one
CID 69846680
5-(1H-1,2,4-triazol-5-yl)pentan-2-one
CID 70539233
methyl 5-(4H-1,2,4-triazol-3-yl)pentanoate
CID 86726537
5-sulfanyl-5-(1H-1,2,4-triazol-5-yl)pentanamide
CID 87903645
2,2-dimethyl-3-(1H-1,2,4-triazol-5-yl)propanal
CID 88427991

Frequently Asked Questions

What is the IUPAC name of 5-(1H-1,2,4-triazol-5-yl)pentanal?
The IUPAC name of 5-(1H-1,2,4-triazol-5-yl)pentanal (CID 23284937) is 5-(1H-1,2,4-triazol-5-yl)pentanal.
What is the SMILES notation for 5-(1H-1,2,4-triazol-5-yl)pentanal?
The canonical SMILES for 5-(1H-1,2,4-triazol-5-yl)pentanal is O=CCCCCc1ncn[nH]1.
What is the InChIKey of 5-(1H-1,2,4-triazol-5-yl)pentanal?
The InChIKey is SUKYUBVFPLQJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c11-5-3-1-2-4-7-8-6-9-10-7/h5-6H,1-4H2,(H,8,9,10).
What are the key properties of 5-(1H-1,2,4-triazol-5-yl)pentanal?
5-(1H-1,2,4-triazol-5-yl)pentanal has a molecular weight of 153.19 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-1,2,4-triazol-5-yl)pentanal is sourced from PubChem (CID 23284937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).