2-nonan-2-yl-5-propyltetrazole

C13H26N4 — CID 177419840

IUPAC2-nonan-2-yl-5-propyltetrazole
SMILESCCCCCCCC(C)n1nnc(CCC)n1
InChIInChI=1S/C13H26N4/c1-4-6-7-8-9-11-12(3)17-15-13(10-5-2)14-16-17/h12H,4-11H2,1-3H3
InChIKeyQCPYIEGSWLPPKN-UHFFFAOYSA-N
MW238.38 g/mol
LogP3.55
Rot. Bonds9

About 2-nonan-2-yl-5-propyltetrazole

2-nonan-2-yl-5-propyltetrazole (PubChem CID 177419840) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is 2-nonan-2-yl-5-propyltetrazole.

Molecular Properties

Compound Name2-nonan-2-yl-5-propyltetrazole
PubChem CID177419840
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Name2-nonan-2-yl-5-propyltetrazole
SMILESCCCCCCCC(C)n1nnc(CCC)n1
InChIInChI=1S/C13H26N4/c1-4-6-7-8-9-11-12(3)17-15-13(10-5-2)14-16-17/h12H,4-11H2,1-3H3
InChIKeyQCPYIEGSWLPPKN-UHFFFAOYSA-N
XLogP3.55
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(5-dodecyltetrazol-2-yl)heptanoic acid
CID 21469507
1-(2-methyltetrazol-5-yl)octan-2-ol
CID 107046019
2-butyl-5-propyltetrazole
CID 69034353
2-(2,2-dimethylpropyl)-5-hexyltetrazole
CID 69030471
3-(2-propan-2-yltetrazol-5-yl)propan-1-amine
CID 84653524
2-fluoro-5-pentyltetrazole
CID 69031362
2-[2-(1-phenyldodecyl)tetrazol-5-yl]acetic acid
CID 21469520
4-(ethylsulfanylmethyl)-5-(methylsulfanylmethyl)-2-nonan-2-yltriazole
CID 156518632
5-hexyl-2-(trifluoromethyl)tetrazole
CID 69032079
tributyl-[5-[6-(2-tributylstannyltetrazol-5-yl)hexyl]tetrazol-2-yl]stannane
CID 177385482
5-butyl-2-methyltetrazole;ethane
CID 144800630
N-ethyl-1-(1-heptan-2-yltetrazol-5-yl)ethanamine
CID 103085937

Frequently Asked Questions

What is the IUPAC name of 2-nonan-2-yl-5-propyltetrazole?
The IUPAC name of 2-nonan-2-yl-5-propyltetrazole (CID 177419840) is 2-nonan-2-yl-5-propyltetrazole.
What is the SMILES notation for 2-nonan-2-yl-5-propyltetrazole?
The canonical SMILES for 2-nonan-2-yl-5-propyltetrazole is CCCCCCCC(C)n1nnc(CCC)n1.
What is the InChIKey of 2-nonan-2-yl-5-propyltetrazole?
The InChIKey is QCPYIEGSWLPPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-4-6-7-8-9-11-12(3)17-15-13(10-5-2)14-16-17/h12H,4-11H2,1-3H3.
What are the key properties of 2-nonan-2-yl-5-propyltetrazole?
2-nonan-2-yl-5-propyltetrazole has a molecular weight of 238.38 g/mol, XLogP of 3.55, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nonan-2-yl-5-propyltetrazole is sourced from PubChem (CID 177419840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).