5-[[3-(2H-tetrazol-5-yl)anilino]methyl]furan-3-carboxylic acid

C13H11N5O3 — CID 104608500

IUPAC5-[[3-(2H-tetrazol-5-yl)anilino]methyl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(CNc2cccc(-c3nn[nH]n3)c2)c1
InChIInChI=1S/C13H11N5O3/c19-13(20)9-5-11(21-7-9)6-14-10-3-1-2-8(4-10)12-15-17-18-16-12/h1-5,7,14H,6H2,(H,19,20)(H,15,16,17,18)
InChIKeyVPGJDLZXGYRBNB-UHFFFAOYSA-N
MW285.26 g/mol
LogP1.77
Rot. Bonds5

About 5-[[3-(2H-tetrazol-5-yl)anilino]methyl]furan-3-carboxylic acid

5-[[3-(2H-tetrazol-5-yl)anilino]methyl]furan-3-carboxylic acid (PubChem CID 104608500) has the molecular formula C13H11N5O3 and a molecular weight of 285.26 g/mol. Its IUPAC name is 5-[[3-(2H-tetrazol-5-yl)anilino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[[3-(2H-tetrazol-5-yl)anilino]methyl]furan-3-carboxylic acid
PubChem CID104608500
Molecular FormulaC13H11N5O3
Molecular Weight285.26 g/mol
Exact Mass285.09
IUPAC Name5-[[3-(2H-tetrazol-5-yl)anilino]methyl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(CNc2cccc(-c3nn[nH]n3)c2)c1
InChIInChI=1S/C13H11N5O3/c19-13(20)9-5-11(21-7-9)6-14-10-3-1-2-8(4-10)12-15-17-18-16-12/h1-5,7,14H,6H2,(H,19,20)(H,15,16,17,18)
InChIKeyVPGJDLZXGYRBNB-UHFFFAOYSA-N
XLogP1.77
TPSA116.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4,5-dibromofuran-2-yl)methyl]-3-(2H-tetrazol-5-yl)aniline
CID 62084486
5-[[3-(1,2,4-triazol-4-yl)anilino]methyl]furan-3-carboxylic acid
CID 104608356
5-[[3-(methoxycarbonylamino)anilino]methyl]furan-3-carboxylic acid
CID 104608682
3-(2H-tetrazol-5-yl)-N-(thiophen-2-ylmethyl)aniline
CID 43732043
N-[(1-methylpyrrol-2-yl)methyl]-3-(2H-tetrazol-5-yl)aniline
CID 62133138
N-(pyridin-3-ylmethyl)-3-(2H-tetrazol-5-yl)aniline
CID 43732044
5-[(quinoxalin-6-ylamino)methyl]furan-3-carboxylic acid
CID 104608670
2-[[3-(2H-tetrazol-5-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60941735
4-methyl-2-[[3-(2H-tetrazol-5-yl)anilino]methyl]phenol
CID 63325066
5-[(2,6-dichloroanilino)methyl]furan-3-carboxylic acid
CID 113432526
5-[(3-chloro-4-methylanilino)methyl]furan-3-carboxylic acid
CID 113432410
2-(methylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 62639485

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(2H-tetrazol-5-yl)anilino]methyl]furan-3-carboxylic acid?
The IUPAC name of 5-[[3-(2H-tetrazol-5-yl)anilino]methyl]furan-3-carboxylic acid (CID 104608500) is 5-[[3-(2H-tetrazol-5-yl)anilino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[[3-(2H-tetrazol-5-yl)anilino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[[3-(2H-tetrazol-5-yl)anilino]methyl]furan-3-carboxylic acid is O=C(O)c1coc(CNc2cccc(-c3nn[nH]n3)c2)c1.
What is the InChIKey of 5-[[3-(2H-tetrazol-5-yl)anilino]methyl]furan-3-carboxylic acid?
The InChIKey is VPGJDLZXGYRBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O3/c19-13(20)9-5-11(21-7-9)6-14-10-3-1-2-8(4-10)12-15-17-18-16-12/h1-5,7,14H,6H2,(H,19,20)(H,15,16,17,18).
What are the key properties of 5-[[3-(2H-tetrazol-5-yl)anilino]methyl]furan-3-carboxylic acid?
5-[[3-(2H-tetrazol-5-yl)anilino]methyl]furan-3-carboxylic acid has a molecular weight of 285.26 g/mol, XLogP of 1.77, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(2H-tetrazol-5-yl)anilino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 104608500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).