carboxy(triazol-1-yl)carbamic acid

C4H4N4O4 — CID 67445650

IUPACcarboxy(triazol-1-yl)carbamic acid
SMILESO=C(O)N(C(=O)O)n1ccnn1
InChIInChI=1S/C4H4N4O4/c9-3(10)8(4(11)12)7-2-1-5-6-7/h1-2H,(H,9,10)(H,11,12)
InChIKeyUMQNPGRGTBZOID-UHFFFAOYSA-N
MW172.10 g/mol
LogP-0.43
Rot. Bonds1

About carboxy(triazol-1-yl)carbamic acid

carboxy(triazol-1-yl)carbamic acid (PubChem CID 67445650) has the molecular formula C4H4N4O4 and a molecular weight of 172.10 g/mol. Its IUPAC name is carboxy(triazol-1-yl)carbamic acid.

Molecular Properties

Compound Namecarboxy(triazol-1-yl)carbamic acid
PubChem CID67445650
Molecular FormulaC4H4N4O4
Molecular Weight172.10 g/mol
Exact Mass172.02
IUPAC Namecarboxy(triazol-1-yl)carbamic acid
SMILESO=C(O)N(C(=O)O)n1ccnn1
InChIInChI=1S/C4H4N4O4/c9-3(10)8(4(11)12)7-2-1-5-6-7/h1-2H,(H,9,10)(H,11,12)
InChIKeyUMQNPGRGTBZOID-UHFFFAOYSA-N
XLogP-0.43
TPSA108.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.10
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-1-(triazol-1-yl)urea
CID 23325971
N-hydroxy-2-methyl-2-methylsulfonyl-N-(triazol-1-yl)butanamide
CID 88996028
2-[acetyl(triazol-1-yl)amino]pyridine-3-carboxamide
CID 91105345
N-benzyl-N-methyltriazole-1-carboxamide
CID 151801601
(2R)-2-amino-2-(triazol-1-yl)propanoic acid
CID 91491441
2-hydroxy-3-(triazol-1-yl)propanoic acid
CID 84650508
3-(triazol-1-yl)pyridine-4-carboxylic acid
CID 84662416
2-[carboxymethyl-[3-(triazol-1-yl)propanoyl]amino]acetic acid
CID 63651478
17-(triazol-1-yl)heptadecanoic acid
CID 69480410
(Z)-3-(dimethylamino)-2-(triazol-1-ylmethyl)prop-2-enoic acid
CID 174741915
N,N-dimethylformamide;1-hydroxytriazole
CID 174891213
2-[2-(triazol-1-yl)ethoxy]acetic acid
CID 86079221

Frequently Asked Questions

What is the IUPAC name of carboxy(triazol-1-yl)carbamic acid?
The IUPAC name of carboxy(triazol-1-yl)carbamic acid (CID 67445650) is carboxy(triazol-1-yl)carbamic acid.
What is the SMILES notation for carboxy(triazol-1-yl)carbamic acid?
The canonical SMILES for carboxy(triazol-1-yl)carbamic acid is O=C(O)N(C(=O)O)n1ccnn1.
What is the InChIKey of carboxy(triazol-1-yl)carbamic acid?
The InChIKey is UMQNPGRGTBZOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N4O4/c9-3(10)8(4(11)12)7-2-1-5-6-7/h1-2H,(H,9,10)(H,11,12).
What are the key properties of carboxy(triazol-1-yl)carbamic acid?
carboxy(triazol-1-yl)carbamic acid has a molecular weight of 172.10 g/mol, XLogP of -0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carboxy(triazol-1-yl)carbamic acid is sourced from PubChem (CID 67445650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).