N-[2-(1-methyltetrazol-5-yl)ethyl]cyclohexanecarboxamide

C11H19N5O — CID 110871032

IUPACN-[2-(1-methyltetrazol-5-yl)ethyl]cyclohexanecarboxamide
SMILESCn1nnnc1CCNC(=O)C1CCCCC1
InChIInChI=1S/C11H19N5O/c1-16-10(13-14-15-16)7-8-12-11(17)9-5-3-2-4-6-9/h9H,2-8H2,1H3,(H,12,17)
InChIKeyQMIXSJJKPGYCBX-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.45
Rot. Bonds4

About N-[2-(1-methyltetrazol-5-yl)ethyl]cyclohexanecarboxamide

N-[2-(1-methyltetrazol-5-yl)ethyl]cyclohexanecarboxamide (PubChem CID 110871032) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is N-[2-(1-methyltetrazol-5-yl)ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(1-methyltetrazol-5-yl)ethyl]cyclohexanecarboxamide
PubChem CID110871032
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC NameN-[2-(1-methyltetrazol-5-yl)ethyl]cyclohexanecarboxamide
SMILESCn1nnnc1CCNC(=O)C1CCCCC1
InChIInChI=1S/C11H19N5O/c1-16-10(13-14-15-16)7-8-12-11(17)9-5-3-2-4-6-9/h9H,2-8H2,1H3,(H,12,17)
InChIKeyQMIXSJJKPGYCBX-UHFFFAOYSA-N
XLogP0.45
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methyltetrazol-5-yl)ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(1-methyltetrazol-5-yl)ethyl]cyclohexanecarboxamide (CID 110871032) is N-[2-(1-methyltetrazol-5-yl)ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(1-methyltetrazol-5-yl)ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(1-methyltetrazol-5-yl)ethyl]cyclohexanecarboxamide is Cn1nnnc1CCNC(=O)C1CCCCC1.
What is the InChIKey of N-[2-(1-methyltetrazol-5-yl)ethyl]cyclohexanecarboxamide?
The InChIKey is QMIXSJJKPGYCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-16-10(13-14-15-16)7-8-12-11(17)9-5-3-2-4-6-9/h9H,2-8H2,1H3,(H,12,17).
What are the key properties of N-[2-(1-methyltetrazol-5-yl)ethyl]cyclohexanecarboxamide?
N-[2-(1-methyltetrazol-5-yl)ethyl]cyclohexanecarboxamide has a molecular weight of 237.31 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methyltetrazol-5-yl)ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 110871032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).