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

C10H16N4O — CID 130704906

IUPAC1-[(2-methyltetrazol-5-yl)methyl]cyclohexane-1-carbaldehyde
SMILESCn1nnc(CC2(C=O)CCCCC2)n1
InChIInChI=1S/C10H16N4O/c1-14-12-9(11-13-14)7-10(8-15)5-3-2-4-6-10/h8H,2-7H2,1H3
InChIKeyUDCFTSIFQGFVON-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.90
Rot. Bonds3

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

1-[(2-methyltetrazol-5-yl)methyl]cyclohexane-1-carbaldehyde (PubChem CID 130704906) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-[(2-methyltetrazol-5-yl)methyl]cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name1-[(2-methyltetrazol-5-yl)methyl]cyclohexane-1-carbaldehyde
PubChem CID130704906
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name1-[(2-methyltetrazol-5-yl)methyl]cyclohexane-1-carbaldehyde
SMILESCn1nnc(CC2(C=O)CCCCC2)n1
InChIInChI=1S/C10H16N4O/c1-14-12-9(11-13-14)7-10(8-15)5-3-2-4-6-10/h8H,2-7H2,1H3
InChIKeyUDCFTSIFQGFVON-UHFFFAOYSA-N
XLogP0.90
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.90
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)methyl]cyclohexan-1-one
CID 107044514
4-Methyl-2-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-one
CID 107044523
4-Ethyl-2-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-one
CID 107044525
2-[(2-Methyltetrazol-5-yl)methyl]-4-propylcyclohexan-1-one
CID 107044527
4-Tert-butyl-2-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-one
CID 107044529
2-[(2-Methyltetrazol-5-yl)methyl]-4-propan-2-ylcyclohexan-1-one
CID 107044534
1-(4,4-Dimethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047146
1-(4-Tert-butylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047155
1-[(2-Methyltetrazol-5-yl)methyl]-2-oxocyclohexane-1-carbonitrile
CID 107057313
3,3-Dimethyl-1-[(2-methyltetrazol-5-yl)methyl]-2-oxocyclohexane-1-carbonitrile
CID 107057371
1-[1-(Aminomethyl)cyclohexyl]-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107062546
1-(1-Methylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063178

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyltetrazol-5-yl)methyl]cyclohexane-1-carbaldehyde?
The IUPAC name of 1-[(2-methyltetrazol-5-yl)methyl]cyclohexane-1-carbaldehyde (CID 130704906) is 1-[(2-methyltetrazol-5-yl)methyl]cyclohexane-1-carbaldehyde.
What is the SMILES notation for 1-[(2-methyltetrazol-5-yl)methyl]cyclohexane-1-carbaldehyde?
The canonical SMILES for 1-[(2-methyltetrazol-5-yl)methyl]cyclohexane-1-carbaldehyde is Cn1nnc(CC2(C=O)CCCCC2)n1.
What is the InChIKey of 1-[(2-methyltetrazol-5-yl)methyl]cyclohexane-1-carbaldehyde?
The InChIKey is UDCFTSIFQGFVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-14-12-9(11-13-14)7-10(8-15)5-3-2-4-6-10/h8H,2-7H2,1H3.
What are the key properties of 1-[(2-methyltetrazol-5-yl)methyl]cyclohexane-1-carbaldehyde?
1-[(2-methyltetrazol-5-yl)methyl]cyclohexane-1-carbaldehyde has a molecular weight of 208.26 g/mol, XLogP of 0.90, 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]cyclohexane-1-carbaldehyde is sourced from PubChem (CID 130704906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).