N-[4-(tetrazol-1-yl)phenyl]cyclobutanecarboxamide

C12H13N5O — CID 649889

IUPACN-[4-(tetrazol-1-yl)phenyl]cyclobutanecarboxamide
SMILESO=C(Nc1ccc(-n2cnnn2)cc1)C1CCC1
InChIInChI=1S/C12H13N5O/c18-12(9-2-1-3-9)14-10-4-6-11(7-5-10)17-8-13-15-16-17/h4-9H,1-3H2,(H,14,18)
InChIKeyRUSZWJCTEFVRHG-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.40
Rot. Bonds3

About N-[4-(tetrazol-1-yl)phenyl]cyclobutanecarboxamide

N-[4-(tetrazol-1-yl)phenyl]cyclobutanecarboxamide (PubChem CID 649889) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is N-[4-(tetrazol-1-yl)phenyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[4-(tetrazol-1-yl)phenyl]cyclobutanecarboxamide
PubChem CID649889
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC NameN-[4-(tetrazol-1-yl)phenyl]cyclobutanecarboxamide
SMILESO=C(Nc1ccc(-n2cnnn2)cc1)C1CCC1
InChIInChI=1S/C12H13N5O/c18-12(9-2-1-3-9)14-10-4-6-11(7-5-10)17-8-13-15-16-17/h4-9H,1-3H2,(H,14,18)
InChIKeyRUSZWJCTEFVRHG-UHFFFAOYSA-N
XLogP1.40
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(tetrazol-1-yl)phenyl]cyclobutanecarboxamide?
The IUPAC name of N-[4-(tetrazol-1-yl)phenyl]cyclobutanecarboxamide (CID 649889) is N-[4-(tetrazol-1-yl)phenyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[4-(tetrazol-1-yl)phenyl]cyclobutanecarboxamide?
The canonical SMILES for N-[4-(tetrazol-1-yl)phenyl]cyclobutanecarboxamide is O=C(Nc1ccc(-n2cnnn2)cc1)C1CCC1.
What is the InChIKey of N-[4-(tetrazol-1-yl)phenyl]cyclobutanecarboxamide?
The InChIKey is RUSZWJCTEFVRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O/c18-12(9-2-1-3-9)14-10-4-6-11(7-5-10)17-8-13-15-16-17/h4-9H,1-3H2,(H,14,18).
What are the key properties of N-[4-(tetrazol-1-yl)phenyl]cyclobutanecarboxamide?
N-[4-(tetrazol-1-yl)phenyl]cyclobutanecarboxamide has a molecular weight of 243.27 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(tetrazol-1-yl)phenyl]cyclobutanecarboxamide is sourced from PubChem (CID 649889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).