1-(2-dodecyltetrazol-5-yl)cyclopentane-1-carbonitrile

C19H33N5 — CID 70114221

IUPAC1-(2-dodecyltetrazol-5-yl)cyclopentane-1-carbonitrile
SMILESCCCCCCCCCCCCn1nnc(C2(C#N)CCCC2)n1
InChIInChI=1S/C19H33N5/c1-2-3-4-5-6-7-8-9-10-13-16-24-22-18(21-23-24)19(17-20)14-11-12-15-19/h2-16H2,1H3
InChIKeyYPWBIHTZFRCUQU-UHFFFAOYSA-N
MW331.51 g/mol
LogP4.93
Rot. Bonds12

About 1-(2-dodecyltetrazol-5-yl)cyclopentane-1-carbonitrile

1-(2-dodecyltetrazol-5-yl)cyclopentane-1-carbonitrile (PubChem CID 70114221) has the molecular formula C19H33N5 and a molecular weight of 331.51 g/mol. Its IUPAC name is 1-(2-dodecyltetrazol-5-yl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(2-dodecyltetrazol-5-yl)cyclopentane-1-carbonitrile
PubChem CID70114221
Molecular FormulaC19H33N5
Molecular Weight331.51 g/mol
Exact Mass331.27
IUPAC Name1-(2-dodecyltetrazol-5-yl)cyclopentane-1-carbonitrile
SMILESCCCCCCCCCCCCn1nnc(C2(C#N)CCCC2)n1
InChIInChI=1S/C19H33N5/c1-2-3-4-5-6-7-8-9-10-13-16-24-22-18(21-23-24)19(17-20)14-11-12-15-19/h2-16H2,1H3
InChIKeyYPWBIHTZFRCUQU-UHFFFAOYSA-N
XLogP4.93
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.51
LogP ≤ 54.93
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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Frequently Asked Questions

What is the IUPAC name of 1-(2-dodecyltetrazol-5-yl)cyclopentane-1-carbonitrile?
The IUPAC name of 1-(2-dodecyltetrazol-5-yl)cyclopentane-1-carbonitrile (CID 70114221) is 1-(2-dodecyltetrazol-5-yl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(2-dodecyltetrazol-5-yl)cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(2-dodecyltetrazol-5-yl)cyclopentane-1-carbonitrile is CCCCCCCCCCCCn1nnc(C2(C#N)CCCC2)n1.
What is the InChIKey of 1-(2-dodecyltetrazol-5-yl)cyclopentane-1-carbonitrile?
The InChIKey is YPWBIHTZFRCUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5/c1-2-3-4-5-6-7-8-9-10-13-16-24-22-18(21-23-24)19(17-20)14-11-12-15-19/h2-16H2,1H3.
What are the key properties of 1-(2-dodecyltetrazol-5-yl)cyclopentane-1-carbonitrile?
1-(2-dodecyltetrazol-5-yl)cyclopentane-1-carbonitrile has a molecular weight of 331.51 g/mol, XLogP of 4.93, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-dodecyltetrazol-5-yl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 70114221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).