5-pentyltetrazole-5-carbonitrile

C7H11N5 — CID 69382845

IUPAC5-pentyltetrazole-5-carbonitrile
SMILESCCCCCC1(C#N)N=NN=N1
InChIInChI=1S/C7H11N5/c1-2-3-4-5-7(6-8)9-11-12-10-7/h2-5H2,1H3
InChIKeySSOILSGZOVOOJM-UHFFFAOYSA-N
MW165.20 g/mol
LogP2.62
Rot. Bonds4

About 5-pentyltetrazole-5-carbonitrile

5-pentyltetrazole-5-carbonitrile (PubChem CID 69382845) has the molecular formula C7H11N5 and a molecular weight of 165.20 g/mol. Its IUPAC name is 5-pentyltetrazole-5-carbonitrile.

Molecular Properties

Compound Name5-pentyltetrazole-5-carbonitrile
PubChem CID69382845
Molecular FormulaC7H11N5
Molecular Weight165.20 g/mol
Exact Mass165.10
IUPAC Name5-pentyltetrazole-5-carbonitrile
SMILESCCCCCC1(C#N)N=NN=N1
InChIInChI=1S/C7H11N5/c1-2-3-4-5-7(6-8)9-11-12-10-7/h2-5H2,1H3
InChIKeySSOILSGZOVOOJM-UHFFFAOYSA-N
XLogP2.62
TPSA73.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-ethyltetrazole-5-carbonitrile
CID 69386482
5,5-dihexyltetrazole
CID 69386804
5-methyl-5-pentyltetrazole
CID 69382844
hexane;tetrahydrate
CID 174107213
5-(1,1,2,2,2-pentachloroethyl)-5-pentyltetrazole
CID 69382501
1-dodecylcycloheptane-1-carbonitrile
CID 65392089
5-butyl-5-ethyltetrazole
CID 68800278
(1-pentylcyclopropyl) cyanate
CID 57162275
heptane;hydrate
CID 57468513
4-methyl-1-nonylcyclohexane-1-carbonitrile
CID 65378716
5-butyl-5-propan-2-yltetrazole
CID 69385429
3-dodecyloxolane-3-carbonitrile
CID 65392721

Frequently Asked Questions

What is the IUPAC name of 5-pentyltetrazole-5-carbonitrile?
The IUPAC name of 5-pentyltetrazole-5-carbonitrile (CID 69382845) is 5-pentyltetrazole-5-carbonitrile.
What is the SMILES notation for 5-pentyltetrazole-5-carbonitrile?
The canonical SMILES for 5-pentyltetrazole-5-carbonitrile is CCCCCC1(C#N)N=NN=N1.
What is the InChIKey of 5-pentyltetrazole-5-carbonitrile?
The InChIKey is SSOILSGZOVOOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5/c1-2-3-4-5-7(6-8)9-11-12-10-7/h2-5H2,1H3.
What are the key properties of 5-pentyltetrazole-5-carbonitrile?
5-pentyltetrazole-5-carbonitrile has a molecular weight of 165.20 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentyltetrazole-5-carbonitrile is sourced from PubChem (CID 69382845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).