1-cyclohexyl-5-propyltetrazole

C10H18N4 — CID 89030996

IUPAC1-cyclohexyl-5-propyltetrazole
SMILESCCCc1nnnn1C1CCCCC1
InChIInChI=1S/C10H18N4/c1-2-6-10-11-12-13-14(10)9-7-4-3-5-8-9/h9H,2-8H2,1H3
InChIKeyQIQSWQRRSUOWRS-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.13
Rot. Bonds3

About 1-cyclohexyl-5-propyltetrazole

1-cyclohexyl-5-propyltetrazole (PubChem CID 89030996) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-cyclohexyl-5-propyltetrazole.

Molecular Properties

Compound Name1-cyclohexyl-5-propyltetrazole
PubChem CID89030996
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name1-cyclohexyl-5-propyltetrazole
SMILESCCCc1nnnn1C1CCCCC1
InChIInChI=1S/C10H18N4/c1-2-6-10-11-12-13-14(10)9-7-4-3-5-8-9/h9H,2-8H2,1H3
InChIKeyQIQSWQRRSUOWRS-UHFFFAOYSA-N
XLogP2.13
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-propyltetrazole?
The IUPAC name of 1-cyclohexyl-5-propyltetrazole (CID 89030996) is 1-cyclohexyl-5-propyltetrazole.
What is the SMILES notation for 1-cyclohexyl-5-propyltetrazole?
The canonical SMILES for 1-cyclohexyl-5-propyltetrazole is CCCc1nnnn1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-5-propyltetrazole?
The InChIKey is QIQSWQRRSUOWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-2-6-10-11-12-13-14(10)9-7-4-3-5-8-9/h9H,2-8H2,1H3.
What are the key properties of 1-cyclohexyl-5-propyltetrazole?
1-cyclohexyl-5-propyltetrazole has a molecular weight of 194.28 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-propyltetrazole is sourced from PubChem (CID 89030996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).