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

C6H10N4O — CID 130905784

IUPAC2-methyl-3-(2-methyltetrazol-5-yl)propanal
SMILESCC(C=O)Cc1nnn(C)n1
InChIInChI=1S/C6H10N4O/c1-5(4-11)3-6-7-9-10(2)8-6/h4-5H,3H2,1-2H3
InChIKeyZOSPMUGGKGKQJW-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.41
Rot. Bonds3

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

2-methyl-3-(2-methyltetrazol-5-yl)propanal (PubChem CID 130905784) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is 2-methyl-3-(2-methyltetrazol-5-yl)propanal.

Molecular Properties

Compound Name2-methyl-3-(2-methyltetrazol-5-yl)propanal
PubChem CID130905784
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC Name2-methyl-3-(2-methyltetrazol-5-yl)propanal
SMILESCC(C=O)Cc1nnn(C)n1
InChIInChI=1S/C6H10N4O/c1-5(4-11)3-6-7-9-10(2)8-6/h4-5H,3H2,1-2H3
InChIKeyZOSPMUGGKGKQJW-UHFFFAOYSA-N
XLogP-0.41
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.41
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
3-Methyl-4-(2-methyltetrazol-5-yl)butan-2-one
CID 107044508
3-(2-Methyltetrazol-5-yl)propanal
CID 107053630
4-(2-Methyltetrazol-5-yl)butanal
CID 107054796
2-Methyl-4-(2-methyltetrazol-5-yl)butanal
CID 107054812
4-(2-Methyltetrazol-5-yl)pentan-2-one
CID 127004725
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 2-methyl-3-(2-methyltetrazol-5-yl)propanal?
The IUPAC name of 2-methyl-3-(2-methyltetrazol-5-yl)propanal (CID 130905784) is 2-methyl-3-(2-methyltetrazol-5-yl)propanal.
What is the SMILES notation for 2-methyl-3-(2-methyltetrazol-5-yl)propanal?
The canonical SMILES for 2-methyl-3-(2-methyltetrazol-5-yl)propanal is CC(C=O)Cc1nnn(C)n1.
What is the InChIKey of 2-methyl-3-(2-methyltetrazol-5-yl)propanal?
The InChIKey is ZOSPMUGGKGKQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O/c1-5(4-11)3-6-7-9-10(2)8-6/h4-5H,3H2,1-2H3.
What are the key properties of 2-methyl-3-(2-methyltetrazol-5-yl)propanal?
2-methyl-3-(2-methyltetrazol-5-yl)propanal has a molecular weight of 154.17 g/mol, XLogP of -0.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methyltetrazol-5-yl)propanal is sourced from PubChem (CID 130905784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).