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

C7H10N4O — CID 131054132

IUPAC1-[(2-methyltetrazol-5-yl)methyl]cyclopropane-1-carbaldehyde
SMILESCn1nnc(CC2(C=O)CC2)n1
InChIInChI=1S/C7H10N4O/c1-11-9-6(8-10-11)4-7(5-12)2-3-7/h5H,2-4H2,1H3
InChIKeyAEYONQKAFRCWLV-UHFFFAOYSA-N
MW166.18 g/mol
LogP-0.27
Rot. Bonds3

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

1-[(2-methyltetrazol-5-yl)methyl]cyclopropane-1-carbaldehyde (PubChem CID 131054132) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is 1-[(2-methyltetrazol-5-yl)methyl]cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Name1-[(2-methyltetrazol-5-yl)methyl]cyclopropane-1-carbaldehyde
PubChem CID131054132
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC Name1-[(2-methyltetrazol-5-yl)methyl]cyclopropane-1-carbaldehyde
SMILESCn1nnc(CC2(C=O)CC2)n1
InChIInChI=1S/C7H10N4O/c1-11-9-6(8-10-11)4-7(5-12)2-3-7/h5H,2-4H2,1H3
InChIKeyAEYONQKAFRCWLV-UHFFFAOYSA-N
XLogP-0.27
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[(2-methyltetrazol-5-yl)methyl]cyclopropane-1-carbaldehyde with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyltetrazol-5-yl)methyl]cyclopropane-1-carbaldehyde?
The IUPAC name of 1-[(2-methyltetrazol-5-yl)methyl]cyclopropane-1-carbaldehyde (CID 131054132) is 1-[(2-methyltetrazol-5-yl)methyl]cyclopropane-1-carbaldehyde.
What is the SMILES notation for 1-[(2-methyltetrazol-5-yl)methyl]cyclopropane-1-carbaldehyde?
The canonical SMILES for 1-[(2-methyltetrazol-5-yl)methyl]cyclopropane-1-carbaldehyde is Cn1nnc(CC2(C=O)CC2)n1.
What is the InChIKey of 1-[(2-methyltetrazol-5-yl)methyl]cyclopropane-1-carbaldehyde?
The InChIKey is AEYONQKAFRCWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O/c1-11-9-6(8-10-11)4-7(5-12)2-3-7/h5H,2-4H2,1H3.
What are the key properties of 1-[(2-methyltetrazol-5-yl)methyl]cyclopropane-1-carbaldehyde?
1-[(2-methyltetrazol-5-yl)methyl]cyclopropane-1-carbaldehyde has a molecular weight of 166.18 g/mol, XLogP of -0.27, 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]cyclopropane-1-carbaldehyde is sourced from PubChem (CID 131054132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).