N-[4-(2H-tetrazol-5-yloxy)phenyl]-4-(1,2,4-triazol-1-yl)butanamide

C13H14N8O2 — CID 131920439

IUPACN-[4-(2H-tetrazol-5-yloxy)phenyl]-4-(1,2,4-triazol-1-yl)butanamide
SMILESO=C(CCCn1cncn1)Nc1ccc(Oc2nn[nH]n2)cc1
InChIInChI=1S/C13H14N8O2/c22-12(2-1-7-21-9-14-8-15-21)16-10-3-5-11(6-4-10)23-13-17-19-20-18-13/h3-6,8-9H,1-2,7H2,(H,16,22)(H,17,18,19,20)
InChIKeyOSROQCXKTIJYHK-UHFFFAOYSA-N
MW314.31 g/mol
LogP1.00
Rot. Bonds7

About N-[4-(2H-tetrazol-5-yloxy)phenyl]-4-(1,2,4-triazol-1-yl)butanamide

N-[4-(2H-tetrazol-5-yloxy)phenyl]-4-(1,2,4-triazol-1-yl)butanamide (PubChem CID 131920439) has the molecular formula C13H14N8O2 and a molecular weight of 314.31 g/mol. Its IUPAC name is N-[4-(2H-tetrazol-5-yloxy)phenyl]-4-(1,2,4-triazol-1-yl)butanamide.

Molecular Properties

Compound NameN-[4-(2H-tetrazol-5-yloxy)phenyl]-4-(1,2,4-triazol-1-yl)butanamide
PubChem CID131920439
Molecular FormulaC13H14N8O2
Molecular Weight314.31 g/mol
Exact Mass314.12
IUPAC NameN-[4-(2H-tetrazol-5-yloxy)phenyl]-4-(1,2,4-triazol-1-yl)butanamide
SMILESO=C(CCCn1cncn1)Nc1ccc(Oc2nn[nH]n2)cc1
InChIInChI=1S/C13H14N8O2/c22-12(2-1-7-21-9-14-8-15-21)16-10-3-5-11(6-4-10)23-13-17-19-20-18-13/h3-6,8-9H,1-2,7H2,(H,16,22)(H,17,18,19,20)
InChIKeyOSROQCXKTIJYHK-UHFFFAOYSA-N
XLogP1.00
TPSA123.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-(5-methyltetrazol-1-yl)-N-[4-(2H-tetrazol-5-yloxy)phenyl]propanamide
CID 131893929
N-[4-[(3-cyano-2-pyridinyl)oxy]phenyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 75371233
2-[4-[3-(1,2,4-triazol-1-yl)propanoylamino]phenoxy]acetic acid
CID 62034643
3-pyridin-3-yl-N-[4-(2H-tetrazol-5-yloxy)phenyl]propanamide
CID 131892802
N-(3,4-difluorophenyl)-4-(1,2,4-triazol-1-yl)butanamide
CID 86822852
N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 131944538
N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 60504074
4-[3-(1,2,4-triazol-1-yl)propanoylamino]benzoic acid
CID 28788777
4-(1,2,4-triazol-1-yl)butanehydrazide
CID 63572043
N-(4-acetyl-3-chlorophenyl)-4-(1,2,4-triazol-1-yl)butanamide
CID 75455006
N-[4-(phenylcarbamoylamino)phenyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 24676944
N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 131934682

Frequently Asked Questions

What is the IUPAC name of N-[4-(2H-tetrazol-5-yloxy)phenyl]-4-(1,2,4-triazol-1-yl)butanamide?
The IUPAC name of N-[4-(2H-tetrazol-5-yloxy)phenyl]-4-(1,2,4-triazol-1-yl)butanamide (CID 131920439) is N-[4-(2H-tetrazol-5-yloxy)phenyl]-4-(1,2,4-triazol-1-yl)butanamide.
What is the SMILES notation for N-[4-(2H-tetrazol-5-yloxy)phenyl]-4-(1,2,4-triazol-1-yl)butanamide?
The canonical SMILES for N-[4-(2H-tetrazol-5-yloxy)phenyl]-4-(1,2,4-triazol-1-yl)butanamide is O=C(CCCn1cncn1)Nc1ccc(Oc2nn[nH]n2)cc1.
What is the InChIKey of N-[4-(2H-tetrazol-5-yloxy)phenyl]-4-(1,2,4-triazol-1-yl)butanamide?
The InChIKey is OSROQCXKTIJYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N8O2/c22-12(2-1-7-21-9-14-8-15-21)16-10-3-5-11(6-4-10)23-13-17-19-20-18-13/h3-6,8-9H,1-2,7H2,(H,16,22)(H,17,18,19,20).
What are the key properties of N-[4-(2H-tetrazol-5-yloxy)phenyl]-4-(1,2,4-triazol-1-yl)butanamide?
N-[4-(2H-tetrazol-5-yloxy)phenyl]-4-(1,2,4-triazol-1-yl)butanamide has a molecular weight of 314.31 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2H-tetrazol-5-yloxy)phenyl]-4-(1,2,4-triazol-1-yl)butanamide is sourced from PubChem (CID 131920439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).