4-[5-[[(1-propyltetrazol-5-yl)amino]methyl]furan-2-yl]benzoic acid

C16H17N5O3 — CID 17057729

IUPAC4-[5-[[(1-propyltetrazol-5-yl)amino]methyl]furan-2-yl]benzoic acid
SMILESCCCn1nnnc1NCc1ccc(-c2ccc(C(=O)O)cc2)o1
InChIInChI=1S/C16H17N5O3/c1-2-9-21-16(18-19-20-21)17-10-13-7-8-14(24-13)11-3-5-12(6-4-11)15(22)23/h3-8H,2,9-10H2,1H3,(H,22,23)(H,17,18,20)
InChIKeyLZLQSAYGFKGDBP-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.65
Rot. Bonds7

About 4-[5-[[(1-propyltetrazol-5-yl)amino]methyl]furan-2-yl]benzoic acid

4-[5-[[(1-propyltetrazol-5-yl)amino]methyl]furan-2-yl]benzoic acid (PubChem CID 17057729) has the molecular formula C16H17N5O3 and a molecular weight of 327.34 g/mol. Its IUPAC name is 4-[5-[[(1-propyltetrazol-5-yl)amino]methyl]furan-2-yl]benzoic acid.

Molecular Properties

Compound Name4-[5-[[(1-propyltetrazol-5-yl)amino]methyl]furan-2-yl]benzoic acid
PubChem CID17057729
Molecular FormulaC16H17N5O3
Molecular Weight327.34 g/mol
Exact Mass327.13
IUPAC Name4-[5-[[(1-propyltetrazol-5-yl)amino]methyl]furan-2-yl]benzoic acid
SMILESCCCn1nnnc1NCc1ccc(-c2ccc(C(=O)O)cc2)o1
InChIInChI=1S/C16H17N5O3/c1-2-9-21-16(18-19-20-21)17-10-13-7-8-14(24-13)11-3-5-12(6-4-11)15(22)23/h3-8H,2,9-10H2,1H3,(H,22,23)(H,17,18,20)
InChIKeyLZLQSAYGFKGDBP-UHFFFAOYSA-N
XLogP2.65
TPSA106.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[5-[[(1-propyltetrazol-5-yl)amino]methyl]furan-2-yl]benzoic acid with MolForge

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Related Compounds

ethyl 4-[5-[[(1-ethyltetrazol-5-yl)amino]methyl]furan-2-yl]benzoate
CID 4726325
4-[5-(methylaminomethyl)furan-2-yl]benzoic acid
CID 17056061
N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-1-propyltetrazol-5-amine
CID 17057739
N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]-1-propyltetrazol-5-amine
CID 17057733
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-phenyltetrazol-5-amine
CID 9339433
4-[5-[[3-(methylamino)propylamino]methyl]furan-2-yl]benzoic acid
CID 17056120
4-[5-[(furan-2-ylmethylamino)methyl]furan-2-yl]benzoic acid;hydrochloride
CID 17056129
4-[5-[[(4-fluorophenyl)methylamino]methyl]furan-2-yl]benzoic acid;hydrochloride
CID 17056095
3-[[5-(4-bromophenyl)furan-2-yl]methylamino]-4-methylbenzoic acid
CID 17058313
N-[(2-methylphenyl)methyl]-1-propyltetrazol-5-amine
CID 4725629
ethyl 4-[5-[(2,4,4-trimethylpentan-2-ylamino)methyl]furan-2-yl]benzoate;hydrochloride
CID 17331166
4-[5-[(oxolan-2-ylmethylamino)methyl]furan-2-yl]benzoic acid
CID 17056052

Frequently Asked Questions

What is the IUPAC name of 4-[5-[[(1-propyltetrazol-5-yl)amino]methyl]furan-2-yl]benzoic acid?
The IUPAC name of 4-[5-[[(1-propyltetrazol-5-yl)amino]methyl]furan-2-yl]benzoic acid (CID 17057729) is 4-[5-[[(1-propyltetrazol-5-yl)amino]methyl]furan-2-yl]benzoic acid.
What is the SMILES notation for 4-[5-[[(1-propyltetrazol-5-yl)amino]methyl]furan-2-yl]benzoic acid?
The canonical SMILES for 4-[5-[[(1-propyltetrazol-5-yl)amino]methyl]furan-2-yl]benzoic acid is CCCn1nnnc1NCc1ccc(-c2ccc(C(=O)O)cc2)o1.
What is the InChIKey of 4-[5-[[(1-propyltetrazol-5-yl)amino]methyl]furan-2-yl]benzoic acid?
The InChIKey is LZLQSAYGFKGDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3/c1-2-9-21-16(18-19-20-21)17-10-13-7-8-14(24-13)11-3-5-12(6-4-11)15(22)23/h3-8H,2,9-10H2,1H3,(H,22,23)(H,17,18,20).
What are the key properties of 4-[5-[[(1-propyltetrazol-5-yl)amino]methyl]furan-2-yl]benzoic acid?
4-[5-[[(1-propyltetrazol-5-yl)amino]methyl]furan-2-yl]benzoic acid has a molecular weight of 327.34 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[[(1-propyltetrazol-5-yl)amino]methyl]furan-2-yl]benzoic acid is sourced from PubChem (CID 17057729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).