3-[(1-methyltetrazol-5-yl)amino]benzoic acid

C9H9N5O2 — CID 63151983

IUPAC3-[(1-methyltetrazol-5-yl)amino]benzoic acid
SMILESCn1nnnc1Nc1cccc(C(=O)O)c1
InChIInChI=1S/C9H9N5O2/c1-14-9(11-12-13-14)10-7-4-2-3-6(5-7)8(15)16/h2-5H,1H3,(H,15,16)(H,10,11,13)
InChIKeyHMZQSOBNWZJHJZ-UHFFFAOYSA-N
MW219.20 g/mol
LogP0.65
Rot. Bonds3

About 3-[(1-methyltetrazol-5-yl)amino]benzoic acid

3-[(1-methyltetrazol-5-yl)amino]benzoic acid (PubChem CID 63151983) has the molecular formula C9H9N5O2 and a molecular weight of 219.20 g/mol. Its IUPAC name is 3-[(1-methyltetrazol-5-yl)amino]benzoic acid.

Molecular Properties

Compound Name3-[(1-methyltetrazol-5-yl)amino]benzoic acid
PubChem CID63151983
Molecular FormulaC9H9N5O2
Molecular Weight219.20 g/mol
Exact Mass219.08
IUPAC Name3-[(1-methyltetrazol-5-yl)amino]benzoic acid
SMILESCn1nnnc1Nc1cccc(C(=O)O)c1
InChIInChI=1S/C9H9N5O2/c1-14-9(11-12-13-14)10-7-4-2-3-6(5-7)8(15)16/h2-5H,1H3,(H,15,16)(H,10,11,13)
InChIKeyHMZQSOBNWZJHJZ-UHFFFAOYSA-N
XLogP0.65
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-fluoro-4-[(1-methyltetrazol-5-yl)amino]benzoic acid
CID 107793526
3-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]benzoic acid
CID 115031293
3-[(2-carbamoyl-4-pyridinyl)amino]benzoic acid
CID 43517510
3-(4-acetylanilino)benzoic acid
CID 11184397
3-(1H-pyrazol-4-ylamino)benzoic acid
CID 115022807
3-(methylamino)benzoic acid;hydrochloride
CID 55250935
3-[[6-cyano-1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzoic acid
CID 134492557
3-[(3-carbamoyl-2-pyridinyl)amino]benzoic acid
CID 43358933
ethane;3-hydrazinylbenzoic acid
CID 142968377
3-[(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)amino]benzoic acid
CID 56767987
3-(2,6-dichloroanilino)benzoic acid
CID 56930861
3-(2,3,4,5,6-pentafluoroanilino)benzoic acid
CID 43238245

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methyltetrazol-5-yl)amino]benzoic acid?
The IUPAC name of 3-[(1-methyltetrazol-5-yl)amino]benzoic acid (CID 63151983) is 3-[(1-methyltetrazol-5-yl)amino]benzoic acid.
What is the SMILES notation for 3-[(1-methyltetrazol-5-yl)amino]benzoic acid?
The canonical SMILES for 3-[(1-methyltetrazol-5-yl)amino]benzoic acid is Cn1nnnc1Nc1cccc(C(=O)O)c1.
What is the InChIKey of 3-[(1-methyltetrazol-5-yl)amino]benzoic acid?
The InChIKey is HMZQSOBNWZJHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O2/c1-14-9(11-12-13-14)10-7-4-2-3-6(5-7)8(15)16/h2-5H,1H3,(H,15,16)(H,10,11,13).
What are the key properties of 3-[(1-methyltetrazol-5-yl)amino]benzoic acid?
3-[(1-methyltetrazol-5-yl)amino]benzoic acid has a molecular weight of 219.20 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methyltetrazol-5-yl)amino]benzoic acid is sourced from PubChem (CID 63151983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).