2-methyl-4-(2H-tetrazol-5-yl)pentanal

C7H12N4O — CID 137418779

IUPAC2-methyl-4-(2H-tetrazol-5-yl)pentanal
SMILESCC(C=O)CC(C)c1nn[nH]n1
InChIInChI=1S/C7H12N4O/c1-5(4-12)3-6(2)7-8-10-11-9-7/h4-6H,3H2,1-2H3,(H,8,9,10,11)
InChIKeyLZWQRZKJPLJECV-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.53
Rot. Bonds4

About 2-methyl-4-(2H-tetrazol-5-yl)pentanal

2-methyl-4-(2H-tetrazol-5-yl)pentanal (PubChem CID 137418779) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-methyl-4-(2H-tetrazol-5-yl)pentanal.

Molecular Properties

Compound Name2-methyl-4-(2H-tetrazol-5-yl)pentanal
PubChem CID137418779
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name2-methyl-4-(2H-tetrazol-5-yl)pentanal
SMILESCC(C=O)CC(C)c1nn[nH]n1
InChIInChI=1S/C7H12N4O/c1-5(4-12)3-6(2)7-8-10-11-9-7/h4-6H,3H2,1-2H3,(H,8,9,10,11)
InChIKeyLZWQRZKJPLJECV-UHFFFAOYSA-N
XLogP0.53
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(1H-1,2,3,4-tetrazol-5-yl)butanal
CID 19844953
3,3-dimethyl-4-(2H-tetrazol-5-yl)butanal
CID 87814745
2-methyl-6-(2H-tetrazol-5-yl)hexanal
CID 87815473
5-methyl-2-oxo-3-(2H-tetrazol-5-yl)hexanal
CID 88012878
(4S)-4-(2H-tetrazol-5-yl)pentanal
CID 88884093
3,5-dimethyl-6-(2H-tetrazol-5-yl)hexanal
CID 129162836
3-methyl-5-(2H-tetrazol-5-yl)hexan-2-one
CID 137418698
2-methyl-4-(2H-tetrazol-5-yl)pentanoyl iodide
CID 137418701
2,2,4-trimethyl-4-(2H-tetrazol-5-yl)pentanal
CID 155444822
4-(2H-tetrazol-5-yl)pentanal
CID 155444826
5-(2H-tetrazol-5-yl)pentanal
CID 91618377
2-Methyl-4-(2-methyltetrazol-5-yl)butanal
CID 107054812

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2H-tetrazol-5-yl)pentanal?
The IUPAC name of 2-methyl-4-(2H-tetrazol-5-yl)pentanal (CID 137418779) is 2-methyl-4-(2H-tetrazol-5-yl)pentanal.
What is the SMILES notation for 2-methyl-4-(2H-tetrazol-5-yl)pentanal?
The canonical SMILES for 2-methyl-4-(2H-tetrazol-5-yl)pentanal is CC(C=O)CC(C)c1nn[nH]n1.
What is the InChIKey of 2-methyl-4-(2H-tetrazol-5-yl)pentanal?
The InChIKey is LZWQRZKJPLJECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-5(4-12)3-6(2)7-8-10-11-9-7/h4-6H,3H2,1-2H3,(H,8,9,10,11).
What are the key properties of 2-methyl-4-(2H-tetrazol-5-yl)pentanal?
2-methyl-4-(2H-tetrazol-5-yl)pentanal has a molecular weight of 168.20 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2H-tetrazol-5-yl)pentanal is sourced from PubChem (CID 137418779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).