[4-(2H-tetrazol-5-yl)phenyl]carbamic acid

C8H7N5O2 — CID 18950804

IUPAC[4-(2H-tetrazol-5-yl)phenyl]carbamic acid
SMILESO=C(O)Nc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C8H7N5O2/c14-8(15)9-6-3-1-5(2-4-6)7-10-12-13-11-7/h1-4,9H,(H,14,15)(H,10,11,12,13)
InChIKeyVFGQEXQNFXAEMW-UHFFFAOYSA-N
MW205.18 g/mol
LogP0.96
Rot. Bonds2

About [4-(2H-tetrazol-5-yl)phenyl]carbamic acid

[4-(2H-tetrazol-5-yl)phenyl]carbamic acid (PubChem CID 18950804) has the molecular formula C8H7N5O2 and a molecular weight of 205.18 g/mol. Its IUPAC name is [4-(2H-tetrazol-5-yl)phenyl]carbamic acid.

Molecular Properties

Compound Name[4-(2H-tetrazol-5-yl)phenyl]carbamic acid
PubChem CID18950804
Molecular FormulaC8H7N5O2
Molecular Weight205.18 g/mol
Exact Mass205.06
IUPAC Name[4-(2H-tetrazol-5-yl)phenyl]carbamic acid
SMILESO=C(O)Nc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C8H7N5O2/c14-8(15)9-6-3-1-5(2-4-6)7-10-12-13-11-7/h1-4,9H,(H,14,15)(H,10,11,12,13)
InChIKeyVFGQEXQNFXAEMW-UHFFFAOYSA-N
XLogP0.96
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2H-tetrazol-5-yl)phenyl]carbamic acid?
The IUPAC name of [4-(2H-tetrazol-5-yl)phenyl]carbamic acid (CID 18950804) is [4-(2H-tetrazol-5-yl)phenyl]carbamic acid.
What is the SMILES notation for [4-(2H-tetrazol-5-yl)phenyl]carbamic acid?
The canonical SMILES for [4-(2H-tetrazol-5-yl)phenyl]carbamic acid is O=C(O)Nc1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of [4-(2H-tetrazol-5-yl)phenyl]carbamic acid?
The InChIKey is VFGQEXQNFXAEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5O2/c14-8(15)9-6-3-1-5(2-4-6)7-10-12-13-11-7/h1-4,9H,(H,14,15)(H,10,11,12,13).
What are the key properties of [4-(2H-tetrazol-5-yl)phenyl]carbamic acid?
[4-(2H-tetrazol-5-yl)phenyl]carbamic acid has a molecular weight of 205.18 g/mol, XLogP of 0.96, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2H-tetrazol-5-yl)phenyl]carbamic acid is sourced from PubChem (CID 18950804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).