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

C5H8N4O — CID 107053630

IUPAC3-(2-methyltetrazol-5-yl)propanal
SMILESCn1nnc(CCC=O)n1
InChIInChI=1S/C5H8N4O/c1-9-7-5(6-8-9)3-2-4-10/h4H,2-3H2,1H3
InChIKeyNZHNRQWURKGIMX-UHFFFAOYSA-N
MW140.15 g/mol
LogP-0.66
Rot. Bonds3

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

3-(2-methyltetrazol-5-yl)propanal (PubChem CID 107053630) has the molecular formula C5H8N4O and a molecular weight of 140.15 g/mol. Its IUPAC name is 3-(2-methyltetrazol-5-yl)propanal.

Molecular Properties

Compound Name3-(2-methyltetrazol-5-yl)propanal
PubChem CID107053630
Molecular FormulaC5H8N4O
Molecular Weight140.15 g/mol
Exact Mass140.07
IUPAC Name3-(2-methyltetrazol-5-yl)propanal
SMILESCn1nnc(CCC=O)n1
InChIInChI=1S/C5H8N4O/c1-9-7-5(6-8-9)3-2-4-10/h4H,2-3H2,1H3
InChIKeyNZHNRQWURKGIMX-UHFFFAOYSA-N
XLogP-0.66
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.15
LogP ≤ 5-0.66
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-(2-Methyltetrazol-5-yl)acetaldehyde
CID 90692638
2-(5-Propan-2-yltetrazol-2-yl)acetaldehyde
CID 91614007
3-(5-Ethyltetrazol-2-yl)propanal
CID 135248461
2-Propyltetrazole-5-carbaldehyde
CID 84648502
4-(2-Methyltetrazol-5-yl)butan-2-one
CID 107044500
4-(2-Methyltetrazol-5-yl)butanal
CID 107054796
2-Methyl-4-(2-methyltetrazol-5-yl)butanal
CID 107054812
2-Methyl-3-(2-methyltetrazol-5-yl)propanal
CID 130905784
1-[(2-methyl-2H-1,2,3,4-tetrazol-5-yl)methyl]cyclopropane-1-carbaldehyde
CID 131054132
2,2-dimethyl-3-(2-methyl-2H-1,2,3,4-tetrazol-5-yl)propanal
CID 131093305
2-methyl-2-[(2-methyl-2H-1,2,3,4-tetrazol-5-yl)methyl]butanal
CID 165587028
3-(2-tert-butyl-2H-1,2,3,4-tetrazol-5-yl)propanal
CID 165762411

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyltetrazol-5-yl)propanal?
The IUPAC name of 3-(2-methyltetrazol-5-yl)propanal (CID 107053630) is 3-(2-methyltetrazol-5-yl)propanal.
What is the SMILES notation for 3-(2-methyltetrazol-5-yl)propanal?
The canonical SMILES for 3-(2-methyltetrazol-5-yl)propanal is Cn1nnc(CCC=O)n1.
What is the InChIKey of 3-(2-methyltetrazol-5-yl)propanal?
The InChIKey is NZHNRQWURKGIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O/c1-9-7-5(6-8-9)3-2-4-10/h4H,2-3H2,1H3.
What are the key properties of 3-(2-methyltetrazol-5-yl)propanal?
3-(2-methyltetrazol-5-yl)propanal has a molecular weight of 140.15 g/mol, XLogP of -0.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyltetrazol-5-yl)propanal is sourced from PubChem (CID 107053630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).