3-(5-ethyltetrazol-2-yl)propanal

C6H10N4O — CID 135248461

IUPAC3-(5-ethyltetrazol-2-yl)propanal
SMILESCCc1nnn(CCC=O)n1
InChIInChI=1S/C6H10N4O/c1-2-6-7-9-10(8-6)4-3-5-11/h5H,2-4H2,1H3
InChIKeyJNQCXVLJDDTHST-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.18
Rot. Bonds4

About 3-(5-ethyltetrazol-2-yl)propanal

3-(5-ethyltetrazol-2-yl)propanal (PubChem CID 135248461) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is 3-(5-ethyltetrazol-2-yl)propanal.

Molecular Properties

Compound Name3-(5-ethyltetrazol-2-yl)propanal
PubChem CID135248461
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC Name3-(5-ethyltetrazol-2-yl)propanal
SMILESCCc1nnn(CCC=O)n1
InChIInChI=1S/C6H10N4O/c1-2-6-7-9-10(8-6)4-3-5-11/h5H,2-4H2,1H3
InChIKeyJNQCXVLJDDTHST-UHFFFAOYSA-N
XLogP-0.18
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-2H-1,2,3,4-tetrazole-5-carbaldehyde
CID 12205099
2H-Tetrazol-2-ethanal, 5-methyl-
CID 535502
1-(2-Methyltetrazol-5-yl)propan-2-one
CID 45085583
1-(2-Ethyltetrazol-5-yl)propan-2-one
CID 84763480
2-Pentyltetrazole-5-carbaldehyde
CID 87692079
2-(2-Methyltetrazol-5-yl)acetaldehyde
CID 90692638
Ethyl 2-[2-(2-oxoethyl)tetrazol-5-yl]acetate
CID 91358817
2-(5-Propan-2-yltetrazol-2-yl)acetaldehyde
CID 91614007
Ethyl 2-[5-(2-oxoethyl)tetrazol-2-yl]acetate
CID 91615343
2-Propyltetrazole-5-carbaldehyde
CID 84648502
2-(2-Methylpropyl)tetrazole-5-carbaldehyde
CID 84649930
1-(2-Propyltetrazol-5-yl)propan-2-one
CID 84765417

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyltetrazol-2-yl)propanal?
The IUPAC name of 3-(5-ethyltetrazol-2-yl)propanal (CID 135248461) is 3-(5-ethyltetrazol-2-yl)propanal.
What is the SMILES notation for 3-(5-ethyltetrazol-2-yl)propanal?
The canonical SMILES for 3-(5-ethyltetrazol-2-yl)propanal is CCc1nnn(CCC=O)n1.
What is the InChIKey of 3-(5-ethyltetrazol-2-yl)propanal?
The InChIKey is JNQCXVLJDDTHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O/c1-2-6-7-9-10(8-6)4-3-5-11/h5H,2-4H2,1H3.
What are the key properties of 3-(5-ethyltetrazol-2-yl)propanal?
3-(5-ethyltetrazol-2-yl)propanal has a molecular weight of 154.17 g/mol, XLogP of -0.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyltetrazol-2-yl)propanal is sourced from PubChem (CID 135248461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).