2-methyl-5-pentyl-1,3-dihydrotetrazole

C7H16N4 — CID 144800619

IUPAC2-methyl-5-pentyl-1,3-dihydrotetrazole
SMILESCCCCCC1=NNN(C)N1
InChIInChI=1S/C7H16N4/c1-3-4-5-6-7-8-10-11(2)9-7/h10H,3-6H2,1-2H3,(H,8,9)
InChIKeyCOMJPGZSTPYDJQ-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.83
Rot. Bonds4

About 2-methyl-5-pentyl-1,3-dihydrotetrazole

2-methyl-5-pentyl-1,3-dihydrotetrazole (PubChem CID 144800619) has the molecular formula C7H16N4 and a molecular weight of 156.23 g/mol. Its IUPAC name is 2-methyl-5-pentyl-1,3-dihydrotetrazole.

Molecular Properties

Compound Name2-methyl-5-pentyl-1,3-dihydrotetrazole
PubChem CID144800619
Molecular FormulaC7H16N4
Molecular Weight156.23 g/mol
Exact Mass156.14
IUPAC Name2-methyl-5-pentyl-1,3-dihydrotetrazole
SMILESCCCCCC1=NNN(C)N1
InChIInChI=1S/C7H16N4/c1-3-4-5-6-7-8-10-11(2)9-7/h10H,3-6H2,1-2H3,(H,8,9)
InChIKeyCOMJPGZSTPYDJQ-UHFFFAOYSA-N
XLogP0.83
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methyl-5-pentyl-1,3-dihydrotetrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-1-(2-methyl-1,3-dihydrotetrazol-5-yl)methanamine
CID 152790694
2-(2-dodecyl-1,3-dihydrotetrazol-5-yl)acetic acid
CID 146841791
3,4,5-trioctyl-2H-tetrazole
CID 67046438
1,2-diheptylcyclopropene
CID 557048
1-butyl-2-hexylcyclopropene
CID 134897823
1-(2-methyl-1,3-dihydrotetrazol-5-yl)ethanone
CID 145090222
1,2-dihexylcyclohexene
CID 19795043
(1Z)-1,2-dipentylcyclononene
CID 134981785
2-pentyl-1H-1,3-diazepine
CID 67931914
1-bromo-2-nonylcyclopropene
CID 22621660
3,4-dihexyl-1H-pyrrole
CID 67204335
tetralithium;hexane;hydride
CID 174784043

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-pentyl-1,3-dihydrotetrazole?
The IUPAC name of 2-methyl-5-pentyl-1,3-dihydrotetrazole (CID 144800619) is 2-methyl-5-pentyl-1,3-dihydrotetrazole.
What is the SMILES notation for 2-methyl-5-pentyl-1,3-dihydrotetrazole?
The canonical SMILES for 2-methyl-5-pentyl-1,3-dihydrotetrazole is CCCCCC1=NNN(C)N1.
What is the InChIKey of 2-methyl-5-pentyl-1,3-dihydrotetrazole?
The InChIKey is COMJPGZSTPYDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4/c1-3-4-5-6-7-8-10-11(2)9-7/h10H,3-6H2,1-2H3,(H,8,9).
What are the key properties of 2-methyl-5-pentyl-1,3-dihydrotetrazole?
2-methyl-5-pentyl-1,3-dihydrotetrazole has a molecular weight of 156.23 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-pentyl-1,3-dihydrotetrazole is sourced from PubChem (CID 144800619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).