N-[4-(2H-tetrazol-5-yl)phenyl]butanamide

C11H13N5O — CID 110720171

IUPACN-[4-(2H-tetrazol-5-yl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C11H13N5O/c1-2-3-10(17)12-9-6-4-8(5-7-9)11-13-15-16-14-11/h4-7H,2-3H2,1H3,(H,12,17)(H,13,14,15,16)
InChIKeyOPFAMKLWMWHJQW-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.61
Rot. Bonds4

About N-[4-(2H-tetrazol-5-yl)phenyl]butanamide

N-[4-(2H-tetrazol-5-yl)phenyl]butanamide (PubChem CID 110720171) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is N-[4-(2H-tetrazol-5-yl)phenyl]butanamide.

Molecular Properties

Compound NameN-[4-(2H-tetrazol-5-yl)phenyl]butanamide
PubChem CID110720171
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC NameN-[4-(2H-tetrazol-5-yl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C11H13N5O/c1-2-3-10(17)12-9-6-4-8(5-7-9)11-13-15-16-14-11/h4-7H,2-3H2,1H3,(H,12,17)(H,13,14,15,16)
InChIKeyOPFAMKLWMWHJQW-UHFFFAOYSA-N
XLogP1.61
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2H-tetrazol-5-yl)phenyl]butanamide?
The IUPAC name of N-[4-(2H-tetrazol-5-yl)phenyl]butanamide (CID 110720171) is N-[4-(2H-tetrazol-5-yl)phenyl]butanamide.
What is the SMILES notation for N-[4-(2H-tetrazol-5-yl)phenyl]butanamide?
The canonical SMILES for N-[4-(2H-tetrazol-5-yl)phenyl]butanamide is CCCC(=O)Nc1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of N-[4-(2H-tetrazol-5-yl)phenyl]butanamide?
The InChIKey is OPFAMKLWMWHJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-2-3-10(17)12-9-6-4-8(5-7-9)11-13-15-16-14-11/h4-7H,2-3H2,1H3,(H,12,17)(H,13,14,15,16).
What are the key properties of N-[4-(2H-tetrazol-5-yl)phenyl]butanamide?
N-[4-(2H-tetrazol-5-yl)phenyl]butanamide has a molecular weight of 231.26 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2H-tetrazol-5-yl)phenyl]butanamide is sourced from PubChem (CID 110720171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).