1-[(2-methyltetrazol-5-yl)methyl]cyclobutane-1-carbaldehyde

C8H12N4O — CID 130743565

IUPAC1-[(2-methyltetrazol-5-yl)methyl]cyclobutane-1-carbaldehyde
SMILESCn1nnc(CC2(C=O)CCC2)n1
InChIInChI=1S/C8H12N4O/c1-12-10-7(9-11-12)5-8(6-13)3-2-4-8/h6H,2-5H2,1H3
InChIKeyIHMYEGALPWRYRZ-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.12
Rot. Bonds3

About 1-[(2-methyltetrazol-5-yl)methyl]cyclobutane-1-carbaldehyde

1-[(2-methyltetrazol-5-yl)methyl]cyclobutane-1-carbaldehyde (PubChem CID 130743565) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 1-[(2-methyltetrazol-5-yl)methyl]cyclobutane-1-carbaldehyde.

Molecular Properties

Compound Name1-[(2-methyltetrazol-5-yl)methyl]cyclobutane-1-carbaldehyde
PubChem CID130743565
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name1-[(2-methyltetrazol-5-yl)methyl]cyclobutane-1-carbaldehyde
SMILESCn1nnc(CC2(C=O)CCC2)n1
InChIInChI=1S/C8H12N4O/c1-12-10-7(9-11-12)5-8(6-13)3-2-4-8/h6H,2-5H2,1H3
InChIKeyIHMYEGALPWRYRZ-UHFFFAOYSA-N
XLogP0.12
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.12
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-Cyclopropyl-3-(2-methyltetrazol-5-yl)propanal
CID 175249609
2-Methyl-4-(2-methyltetrazol-5-yl)butanal
CID 107054812
1-[(2-Methyltetrazol-5-yl)methyl]cyclohexane-1-carbaldehyde
CID 130704906
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

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyltetrazol-5-yl)methyl]cyclobutane-1-carbaldehyde?
The IUPAC name of 1-[(2-methyltetrazol-5-yl)methyl]cyclobutane-1-carbaldehyde (CID 130743565) is 1-[(2-methyltetrazol-5-yl)methyl]cyclobutane-1-carbaldehyde.
What is the SMILES notation for 1-[(2-methyltetrazol-5-yl)methyl]cyclobutane-1-carbaldehyde?
The canonical SMILES for 1-[(2-methyltetrazol-5-yl)methyl]cyclobutane-1-carbaldehyde is Cn1nnc(CC2(C=O)CCC2)n1.
What is the InChIKey of 1-[(2-methyltetrazol-5-yl)methyl]cyclobutane-1-carbaldehyde?
The InChIKey is IHMYEGALPWRYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-12-10-7(9-11-12)5-8(6-13)3-2-4-8/h6H,2-5H2,1H3.
What are the key properties of 1-[(2-methyltetrazol-5-yl)methyl]cyclobutane-1-carbaldehyde?
1-[(2-methyltetrazol-5-yl)methyl]cyclobutane-1-carbaldehyde has a molecular weight of 180.21 g/mol, XLogP of 0.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyltetrazol-5-yl)methyl]cyclobutane-1-carbaldehyde is sourced from PubChem (CID 130743565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).