N-[4-(2H-tetrazol-5-yloxy)phenyl]azetidine-2-carboxamide;hydrochloride

C11H13ClN6O2 — CID 154912887

IUPACN-[4-(2H-tetrazol-5-yloxy)phenyl]azetidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(Oc2nn[nH]n2)cc1)C1CCN1
InChIInChI=1S/C11H12N6O2.ClH/c18-10(9-5-6-12-9)13-7-1-3-8(4-2-7)19-11-14-16-17-15-11;/h1-4,9,12H,5-6H2,(H,13,18)(H,14,15,16,17);1H
InChIKeyDQGODYHWXRSDBP-UHFFFAOYSA-N
MW296.72 g/mol
LogP0.71
Rot. Bonds4

About N-[4-(2H-tetrazol-5-yloxy)phenyl]azetidine-2-carboxamide;hydrochloride

N-[4-(2H-tetrazol-5-yloxy)phenyl]azetidine-2-carboxamide;hydrochloride (PubChem CID 154912887) has the molecular formula C11H13ClN6O2 and a molecular weight of 296.72 g/mol. Its IUPAC name is N-[4-(2H-tetrazol-5-yloxy)phenyl]azetidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(2H-tetrazol-5-yloxy)phenyl]azetidine-2-carboxamide;hydrochloride
PubChem CID154912887
Molecular FormulaC11H13ClN6O2
Molecular Weight296.72 g/mol
Exact Mass296.08
IUPAC NameN-[4-(2H-tetrazol-5-yloxy)phenyl]azetidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(Oc2nn[nH]n2)cc1)C1CCN1
InChIInChI=1S/C11H12N6O2.ClH/c18-10(9-5-6-12-9)13-7-1-3-8(4-2-7)19-11-14-16-17-15-11;/h1-4,9,12H,5-6H2,(H,13,18)(H,14,15,16,17);1H
InChIKeyDQGODYHWXRSDBP-UHFFFAOYSA-N
XLogP0.71
TPSA104.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.72
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

cis-(1S,2R)-2-N-tert-butyl-1-N-[4-(2H-tetrazol-5-yloxy)phenyl]cyclohexane-1,2-dicarboxamide
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2-[4-[[(2R)-piperidine-2-carbonyl]amino]phenoxy]acetic acid
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Frequently Asked Questions

What is the IUPAC name of N-[4-(2H-tetrazol-5-yloxy)phenyl]azetidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[4-(2H-tetrazol-5-yloxy)phenyl]azetidine-2-carboxamide;hydrochloride (CID 154912887) is N-[4-(2H-tetrazol-5-yloxy)phenyl]azetidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(2H-tetrazol-5-yloxy)phenyl]azetidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(2H-tetrazol-5-yloxy)phenyl]azetidine-2-carboxamide;hydrochloride is Cl.O=C(Nc1ccc(Oc2nn[nH]n2)cc1)C1CCN1.
What is the InChIKey of N-[4-(2H-tetrazol-5-yloxy)phenyl]azetidine-2-carboxamide;hydrochloride?
The InChIKey is DQGODYHWXRSDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O2.ClH/c18-10(9-5-6-12-9)13-7-1-3-8(4-2-7)19-11-14-16-17-15-11;/h1-4,9,12H,5-6H2,(H,13,18)(H,14,15,16,17);1H.
What are the key properties of N-[4-(2H-tetrazol-5-yloxy)phenyl]azetidine-2-carboxamide;hydrochloride?
N-[4-(2H-tetrazol-5-yloxy)phenyl]azetidine-2-carboxamide;hydrochloride has a molecular weight of 296.72 g/mol, XLogP of 0.71, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2H-tetrazol-5-yloxy)phenyl]azetidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 154912887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).