4-(2-methyltetrazol-5-yl)butanal

C6H10N4O — CID 107054796

IUPAC4-(2-methyltetrazol-5-yl)butanal
SMILESCn1nnc(CCCC=O)n1
InChIInChI=1S/C6H10N4O/c1-10-8-6(7-9-10)4-2-3-5-11/h5H,2-4H2,1H3
InChIKeyBXLSKORHBVXVGC-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.27
Rot. Bonds4

About 4-(2-methyltetrazol-5-yl)butanal

4-(2-methyltetrazol-5-yl)butanal (PubChem CID 107054796) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is 4-(2-methyltetrazol-5-yl)butanal.

Molecular Properties

Compound Name4-(2-methyltetrazol-5-yl)butanal
PubChem CID107054796
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC Name4-(2-methyltetrazol-5-yl)butanal
SMILESCn1nnc(CCCC=O)n1
InChIInChI=1S/C6H10N4O/c1-10-8-6(7-9-10)4-2-3-5-11/h5H,2-4H2,1H3
InChIKeyBXLSKORHBVXVGC-UHFFFAOYSA-N
XLogP-0.27
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 ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(2-methyltetrazol-5-yl)butanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1H-1,2,3,4-tetrazol-5-yl)butanal
CID 19844953
2-Pentyltetrazole-5-carbaldehyde
CID 87692079
2-(2-Methyltetrazol-5-yl)acetaldehyde
CID 90692638
3-(5-Ethyltetrazol-2-yl)propanal
CID 135248461
4-(2-Methyl-2H-tetrazol-5-yl)butanethioic S-acid
CID 71328647
3-(2-Methyltetrazol-5-yl)propanal
CID 107053630
5-(2-Methyltetrazol-5-yl)pentan-2-one
CID 107054794
6-(2-Methyltetrazol-5-yl)hexan-3-one
CID 107054798
2-Methyl-4-(2-methyltetrazol-5-yl)butanal
CID 107054812
2-Methyl-3-(2-methyltetrazol-5-yl)propanal
CID 130905784
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

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyltetrazol-5-yl)butanal?
The IUPAC name of 4-(2-methyltetrazol-5-yl)butanal (CID 107054796) is 4-(2-methyltetrazol-5-yl)butanal.
What is the SMILES notation for 4-(2-methyltetrazol-5-yl)butanal?
The canonical SMILES for 4-(2-methyltetrazol-5-yl)butanal is Cn1nnc(CCCC=O)n1.
What is the InChIKey of 4-(2-methyltetrazol-5-yl)butanal?
The InChIKey is BXLSKORHBVXVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O/c1-10-8-6(7-9-10)4-2-3-5-11/h5H,2-4H2,1H3.
What are the key properties of 4-(2-methyltetrazol-5-yl)butanal?
4-(2-methyltetrazol-5-yl)butanal has a molecular weight of 154.17 g/mol, XLogP of -0.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyltetrazol-5-yl)butanal is sourced from PubChem (CID 107054796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).