4-(2-propyltetrazol-5-yl)benzaldehyde

C11H12N4O — CID 146422651

IUPAC4-(2-propyltetrazol-5-yl)benzaldehyde
SMILESCCCn1nnc(-c2ccc(C=O)cc2)n1
InChIInChI=1S/C11H12N4O/c1-2-7-15-13-11(12-14-15)10-5-3-9(8-16)4-6-10/h3-6,8H,2,7H2,1H3
InChIKeyHZFOCDLHTZEBIG-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.56
Rot. Bonds4

About 4-(2-propyltetrazol-5-yl)benzaldehyde

4-(2-propyltetrazol-5-yl)benzaldehyde (PubChem CID 146422651) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 4-(2-propyltetrazol-5-yl)benzaldehyde.

Molecular Properties

Compound Name4-(2-propyltetrazol-5-yl)benzaldehyde
PubChem CID146422651
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name4-(2-propyltetrazol-5-yl)benzaldehyde
SMILESCCCn1nnc(-c2ccc(C=O)cc2)n1
InChIInChI=1S/C11H12N4O/c1-2-7-15-13-11(12-14-15)10-5-3-9(8-16)4-6-10/h3-6,8H,2,7H2,1H3
InChIKeyHZFOCDLHTZEBIG-UHFFFAOYSA-N
XLogP1.56
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.56
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

ethyl 3-[5-(4-formylphenyl)tetrazol-2-yl]propanoate
CID 23559158
3-(5-phenyltetrazol-2-yl)propanal
CID 63038867
5-[4-[(Z)-but-2-en-2-yl]phenyl]-2-pentyltetrazole
CID 173339774
2-butyl-5-(4-nitrophenyl)tetrazole
CID 122455237
4-[2-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]tetrazol-5-yl]benzaldehyde
CID 139532785
methyl 3-[5-(4-ethylphenyl)tetrazol-2-yl]propanoate
CID 647427
4-[5-(4-pentoxyphenyl)tetrazol-2-yl]butanoic acid
CID 135209195
[4-(2-decyltetrazol-5-yl)phenyl] 4-decoxybenzoate
CID 102108808
3-[5-(4-methoxyphenyl)tetrazol-2-yl]propanoic acid
CID 860833
6-(5-phenyltetrazol-2-yl)hexan-3-one
CID 104623292
2-[5-(4-methylphenyl)tetrazol-2-yl]acetic acid
CID 701825
N-[2-[5-(4-bromophenyl)tetrazol-2-yl]ethyl]acetamide
CID 8598069

Frequently Asked Questions

What is the IUPAC name of 4-(2-propyltetrazol-5-yl)benzaldehyde?
The IUPAC name of 4-(2-propyltetrazol-5-yl)benzaldehyde (CID 146422651) is 4-(2-propyltetrazol-5-yl)benzaldehyde.
What is the SMILES notation for 4-(2-propyltetrazol-5-yl)benzaldehyde?
The canonical SMILES for 4-(2-propyltetrazol-5-yl)benzaldehyde is CCCn1nnc(-c2ccc(C=O)cc2)n1.
What is the InChIKey of 4-(2-propyltetrazol-5-yl)benzaldehyde?
The InChIKey is HZFOCDLHTZEBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-2-7-15-13-11(12-14-15)10-5-3-9(8-16)4-6-10/h3-6,8H,2,7H2,1H3.
What are the key properties of 4-(2-propyltetrazol-5-yl)benzaldehyde?
4-(2-propyltetrazol-5-yl)benzaldehyde has a molecular weight of 216.24 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propyltetrazol-5-yl)benzaldehyde is sourced from PubChem (CID 146422651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).