2-(5-propan-2-yltetrazol-1-yl)acetaldehyde

C6H10N4O — CID 91459465

IUPAC2-(5-propan-2-yltetrazol-1-yl)acetaldehyde
SMILESCC(C)c1nnnn1CC=O
InChIInChI=1S/C6H10N4O/c1-5(2)6-7-8-9-10(6)3-4-11/h4-5H,3H2,1-2H3
InChIKeyKHJKHLVYZJOSAF-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.00
Rot. Bonds3

About 2-(5-propan-2-yltetrazol-1-yl)acetaldehyde

2-(5-propan-2-yltetrazol-1-yl)acetaldehyde (PubChem CID 91459465) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is 2-(5-propan-2-yltetrazol-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(5-propan-2-yltetrazol-1-yl)acetaldehyde
PubChem CID91459465
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC Name2-(5-propan-2-yltetrazol-1-yl)acetaldehyde
SMILESCC(C)c1nnnn1CC=O
InChIInChI=1S/C6H10N4O/c1-5(2)6-7-8-9-10(6)3-4-11/h4-5H,3H2,1-2H3
InChIKeyKHJKHLVYZJOSAF-UHFFFAOYSA-N
XLogP-0.00
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 ≤ 5-0.00
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-(5-propan-2-yltetrazol-1-yl)ethylazanium
CID 162510129
2-(5-propan-2-yltetrazol-1-yl)acetonitrile
CID 84759144
1-pentyl-5-propan-2-yltetrazole
CID 69031680
5-propan-2-yltetrazole-1-carbonitrile
CID 69034463
N-[4-(2-hydroxyethyl)phenyl]-2-(5-propan-2-yltetrazol-1-yl)acetamide
CID 111612090
2-[5-[(2S)-4-methylsulfanylbutan-2-yl]tetrazol-1-yl]acetic acid
CID 134318035
3-methyl-4-(5-pentan-3-yltetrazol-1-yl)butanoic acid
CID 81071652
2-(5-pentan-3-yltetrazol-1-yl)ethanol
CID 84759475
N-[cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-2-(5-propan-2-yltetrazol-1-yl)acetamide
CID 71983293
1-[1-(4-methylsulfanylbutyl)tetrazol-5-yl]ethanamine
CID 103086948
2-ethyl-2-[[5-(3-methylbutan-2-yl)tetrazol-1-yl]methyl]butanoic acid
CID 113308820
7-methyl-4-[(5-propan-2-yltetrazol-1-yl)methyl]chromen-2-one
CID 166200215

Frequently Asked Questions

What is the IUPAC name of 2-(5-propan-2-yltetrazol-1-yl)acetaldehyde?
The IUPAC name of 2-(5-propan-2-yltetrazol-1-yl)acetaldehyde (CID 91459465) is 2-(5-propan-2-yltetrazol-1-yl)acetaldehyde.
What is the SMILES notation for 2-(5-propan-2-yltetrazol-1-yl)acetaldehyde?
The canonical SMILES for 2-(5-propan-2-yltetrazol-1-yl)acetaldehyde is CC(C)c1nnnn1CC=O.
What is the InChIKey of 2-(5-propan-2-yltetrazol-1-yl)acetaldehyde?
The InChIKey is KHJKHLVYZJOSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O/c1-5(2)6-7-8-9-10(6)3-4-11/h4-5H,3H2,1-2H3.
What are the key properties of 2-(5-propan-2-yltetrazol-1-yl)acetaldehyde?
2-(5-propan-2-yltetrazol-1-yl)acetaldehyde has a molecular weight of 154.17 g/mol, XLogP of -0.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-propan-2-yltetrazol-1-yl)acetaldehyde is sourced from PubChem (CID 91459465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).