N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-4-(1,2,4-triazol-1-yl)butanamide

C14H16N8O2 — CID 131934682

IUPACN-[3-methoxy-5-(tetrazol-1-yl)phenyl]-4-(1,2,4-triazol-1-yl)butanamide
SMILESCOc1cc(NC(=O)CCCn2cncn2)cc(-n2cnnn2)c1
InChIInChI=1S/C14H16N8O2/c1-24-13-6-11(5-12(7-13)22-10-16-19-20-22)18-14(23)3-2-4-21-9-15-8-17-21/h5-10H,2-4H2,1H3,(H,18,23)
InChIKeyBMSYVETYGNKACR-UHFFFAOYSA-N
MW328.34 g/mol
LogP0.68
Rot. Bonds7

About N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-4-(1,2,4-triazol-1-yl)butanamide

N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-4-(1,2,4-triazol-1-yl)butanamide (PubChem CID 131934682) has the molecular formula C14H16N8O2 and a molecular weight of 328.34 g/mol. Its IUPAC name is N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-4-(1,2,4-triazol-1-yl)butanamide.

Molecular Properties

Compound NameN-[3-methoxy-5-(tetrazol-1-yl)phenyl]-4-(1,2,4-triazol-1-yl)butanamide
PubChem CID131934682
Molecular FormulaC14H16N8O2
Molecular Weight328.34 g/mol
Exact Mass328.14
IUPAC NameN-[3-methoxy-5-(tetrazol-1-yl)phenyl]-4-(1,2,4-triazol-1-yl)butanamide
SMILESCOc1cc(NC(=O)CCCn2cncn2)cc(-n2cnnn2)c1
InChIInChI=1S/C14H16N8O2/c1-24-13-6-11(5-12(7-13)22-10-16-19-20-22)18-14(23)3-2-4-21-9-15-8-17-21/h5-10H,2-4H2,1H3,(H,18,23)
InChIKeyBMSYVETYGNKACR-UHFFFAOYSA-N
XLogP0.68
TPSA112.64 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

3-cyclopentyl-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]propanamide
CID 1231769
N-(3,5-difluoro-4-methoxyphenyl)-4-(1,2,4-triazol-1-yl)butanamide
CID 87042635
formic acid;N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 154915325
N-[3-methoxy-5-(tetrazol-1-yl)phenyl]furan-2-carboxamide
CID 4155435
4-(2-aminoethyl)-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]benzamide;hydrochloride
CID 154912324
N-(3,4-difluorophenyl)-4-(1,2,4-triazol-1-yl)butanamide
CID 86822852
2-[4-(tetrazol-1-yl)phenyl]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
CID 78863578
1-[3-methoxy-5-(tetrazol-1-yl)phenyl]-3-(piperidin-4-ylmethyl)urea
CID 74247300
N-(2,5-dimethoxyphenyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 24663723
N-[4-(2H-tetrazol-5-yloxy)phenyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 131920439
2-cyclopropyl-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]pyrimidine-5-carboxamide
CID 131896599
1-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-3-[3-methoxy-5-(tetrazol-1-yl)phenyl]urea
CID 72918036

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-4-(1,2,4-triazol-1-yl)butanamide?
The IUPAC name of N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-4-(1,2,4-triazol-1-yl)butanamide (CID 131934682) is N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-4-(1,2,4-triazol-1-yl)butanamide.
What is the SMILES notation for N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-4-(1,2,4-triazol-1-yl)butanamide?
The canonical SMILES for N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-4-(1,2,4-triazol-1-yl)butanamide is COc1cc(NC(=O)CCCn2cncn2)cc(-n2cnnn2)c1.
What is the InChIKey of N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-4-(1,2,4-triazol-1-yl)butanamide?
The InChIKey is BMSYVETYGNKACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N8O2/c1-24-13-6-11(5-12(7-13)22-10-16-19-20-22)18-14(23)3-2-4-21-9-15-8-17-21/h5-10H,2-4H2,1H3,(H,18,23).
What are the key properties of N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-4-(1,2,4-triazol-1-yl)butanamide?
N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-4-(1,2,4-triazol-1-yl)butanamide has a molecular weight of 328.34 g/mol, XLogP of 0.68, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-4-(1,2,4-triazol-1-yl)butanamide is sourced from PubChem (CID 131934682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).