2-cyclopropyl-3-(2-methyltetrazol-5-yl)propanal

C8H12N4O — CID 175249609

IUPAC2-cyclopropyl-3-(2-methyltetrazol-5-yl)propanal
SMILESCn1nnc(CC(C=O)C2CC2)n1
InChIInChI=1S/C8H12N4O/c1-12-10-8(9-11-12)4-7(5-13)6-2-3-6/h5-7H,2-4H2,1H3
InChIKeyHMRCDPJTLLXUAG-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.02
Rot. Bonds4

About 2-cyclopropyl-3-(2-methyltetrazol-5-yl)propanal

2-cyclopropyl-3-(2-methyltetrazol-5-yl)propanal (PubChem CID 175249609) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2-methyltetrazol-5-yl)propanal.

Molecular Properties

Compound Name2-cyclopropyl-3-(2-methyltetrazol-5-yl)propanal
PubChem CID175249609
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name2-cyclopropyl-3-(2-methyltetrazol-5-yl)propanal
SMILESCn1nnc(CC(C=O)C2CC2)n1
InChIInChI=1S/C8H12N4O/c1-12-10-8(9-11-12)4-7(5-13)6-2-3-6/h5-7H,2-4H2,1H3
InChIKeyHMRCDPJTLLXUAG-UHFFFAOYSA-N
XLogP-0.02
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.02
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

1-Cyclopropyl-3-(2-methyltetrazol-5-yl)propan-1-one
CID 107044538
2-Methyl-1-(2-methyltetrazol-5-yl)pentan-3-one
CID 107044540
1-(2-Methylcyclopropyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047175
2-Methyl-4-(2-methyltetrazol-5-yl)butanal
CID 107054812
3-Cyclopropyl-1-(2-methyltetrazol-5-yl)butan-2-one
CID 107063438
1-[(2-methyl-2H-1,2,3,4-tetrazol-5-yl)methyl]cyclobutane-1-carbaldehyde
CID 130743565
2-Cyclopropyl-1-(2-methyltetrazol-5-yl)propan-1-one
CID 130992602
1-[(2-methyl-2H-1,2,3,4-tetrazol-5-yl)methyl]cyclopropane-1-carbaldehyde
CID 131054132
2-methyl-2-[(2-methyl-2H-1,2,3,4-tetrazol-5-yl)methyl]butanal
CID 165587028

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(2-methyltetrazol-5-yl)propanal?
The IUPAC name of 2-cyclopropyl-3-(2-methyltetrazol-5-yl)propanal (CID 175249609) is 2-cyclopropyl-3-(2-methyltetrazol-5-yl)propanal.
What is the SMILES notation for 2-cyclopropyl-3-(2-methyltetrazol-5-yl)propanal?
The canonical SMILES for 2-cyclopropyl-3-(2-methyltetrazol-5-yl)propanal is Cn1nnc(CC(C=O)C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-3-(2-methyltetrazol-5-yl)propanal?
The InChIKey is HMRCDPJTLLXUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-12-10-8(9-11-12)4-7(5-13)6-2-3-6/h5-7H,2-4H2,1H3.
What are the key properties of 2-cyclopropyl-3-(2-methyltetrazol-5-yl)propanal?
2-cyclopropyl-3-(2-methyltetrazol-5-yl)propanal has a molecular weight of 180.21 g/mol, XLogP of -0.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(2-methyltetrazol-5-yl)propanal is sourced from PubChem (CID 175249609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).