5-[(2-cyclohexylpyrrolidin-1-yl)methyl]-1-cyclopropyltetrazole

C15H25N5 — CID 47054007

IUPAC5-[(2-cyclohexylpyrrolidin-1-yl)methyl]-1-cyclopropyltetrazole
SMILESC1CCC(C2CCCN2Cc2nnnn2C2CC2)CC1
InChIInChI=1S/C15H25N5/c1-2-5-12(6-3-1)14-7-4-10-19(14)11-15-16-17-18-20(15)13-8-9-13/h12-14H,1-11H2
InChIKeyDDISKFFMIWYEDM-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.55
Rot. Bonds4

About 5-[(2-cyclohexylpyrrolidin-1-yl)methyl]-1-cyclopropyltetrazole

5-[(2-cyclohexylpyrrolidin-1-yl)methyl]-1-cyclopropyltetrazole (PubChem CID 47054007) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is 5-[(2-cyclohexylpyrrolidin-1-yl)methyl]-1-cyclopropyltetrazole.

Molecular Properties

Compound Name5-[(2-cyclohexylpyrrolidin-1-yl)methyl]-1-cyclopropyltetrazole
PubChem CID47054007
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC Name5-[(2-cyclohexylpyrrolidin-1-yl)methyl]-1-cyclopropyltetrazole
SMILESC1CCC(C2CCCN2Cc2nnnn2C2CC2)CC1
InChIInChI=1S/C15H25N5/c1-2-5-12(6-3-1)14-7-4-10-19(14)11-15-16-17-18-20(15)13-8-9-13/h12-14H,1-11H2
InChIKeyDDISKFFMIWYEDM-UHFFFAOYSA-N
XLogP2.55
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-cyclohexylpyrrolidin-1-yl)methyl]-1-cyclopropyltetrazole?
The IUPAC name of 5-[(2-cyclohexylpyrrolidin-1-yl)methyl]-1-cyclopropyltetrazole (CID 47054007) is 5-[(2-cyclohexylpyrrolidin-1-yl)methyl]-1-cyclopropyltetrazole.
What is the SMILES notation for 5-[(2-cyclohexylpyrrolidin-1-yl)methyl]-1-cyclopropyltetrazole?
The canonical SMILES for 5-[(2-cyclohexylpyrrolidin-1-yl)methyl]-1-cyclopropyltetrazole is C1CCC(C2CCCN2Cc2nnnn2C2CC2)CC1.
What is the InChIKey of 5-[(2-cyclohexylpyrrolidin-1-yl)methyl]-1-cyclopropyltetrazole?
The InChIKey is DDISKFFMIWYEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-2-5-12(6-3-1)14-7-4-10-19(14)11-15-16-17-18-20(15)13-8-9-13/h12-14H,1-11H2.
What are the key properties of 5-[(2-cyclohexylpyrrolidin-1-yl)methyl]-1-cyclopropyltetrazole?
5-[(2-cyclohexylpyrrolidin-1-yl)methyl]-1-cyclopropyltetrazole has a molecular weight of 275.40 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-cyclohexylpyrrolidin-1-yl)methyl]-1-cyclopropyltetrazole is sourced from PubChem (CID 47054007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).