2-tert-butyl-N-[(1-methylcyclopentyl)methyl]tetrazole-5-carboxamide

C13H23N5O — CID 126838567

IUPAC2-tert-butyl-N-[(1-methylcyclopentyl)methyl]tetrazole-5-carboxamide
SMILESCC1(CNC(=O)c2nnn(C(C)(C)C)n2)CCCC1
InChIInChI=1S/C13H23N5O/c1-12(2,3)18-16-10(15-17-18)11(19)14-9-13(4)7-5-6-8-13/h5-9H2,1-4H3,(H,14,19)
InChIKeyOFVCWCTZALZJIV-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.74
Rot. Bonds3

About 2-tert-butyl-N-[(1-methylcyclopentyl)methyl]tetrazole-5-carboxamide

2-tert-butyl-N-[(1-methylcyclopentyl)methyl]tetrazole-5-carboxamide (PubChem CID 126838567) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-tert-butyl-N-[(1-methylcyclopentyl)methyl]tetrazole-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-[(1-methylcyclopentyl)methyl]tetrazole-5-carboxamide
PubChem CID126838567
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name2-tert-butyl-N-[(1-methylcyclopentyl)methyl]tetrazole-5-carboxamide
SMILESCC1(CNC(=O)c2nnn(C(C)(C)C)n2)CCCC1
InChIInChI=1S/C13H23N5O/c1-12(2,3)18-16-10(15-17-18)11(19)14-9-13(4)7-5-6-8-13/h5-9H2,1-4H3,(H,14,19)
InChIKeyOFVCWCTZALZJIV-UHFFFAOYSA-N
XLogP1.74
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[(1-methylcyclopentyl)methyl]tetrazole-5-carboxamide?
The IUPAC name of 2-tert-butyl-N-[(1-methylcyclopentyl)methyl]tetrazole-5-carboxamide (CID 126838567) is 2-tert-butyl-N-[(1-methylcyclopentyl)methyl]tetrazole-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-[(1-methylcyclopentyl)methyl]tetrazole-5-carboxamide?
The canonical SMILES for 2-tert-butyl-N-[(1-methylcyclopentyl)methyl]tetrazole-5-carboxamide is CC1(CNC(=O)c2nnn(C(C)(C)C)n2)CCCC1.
What is the InChIKey of 2-tert-butyl-N-[(1-methylcyclopentyl)methyl]tetrazole-5-carboxamide?
The InChIKey is OFVCWCTZALZJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-12(2,3)18-16-10(15-17-18)11(19)14-9-13(4)7-5-6-8-13/h5-9H2,1-4H3,(H,14,19).
What are the key properties of 2-tert-butyl-N-[(1-methylcyclopentyl)methyl]tetrazole-5-carboxamide?
2-tert-butyl-N-[(1-methylcyclopentyl)methyl]tetrazole-5-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[(1-methylcyclopentyl)methyl]tetrazole-5-carboxamide is sourced from PubChem (CID 126838567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).