[3-[4-(hydroxymethyl)triazol-1-yl]cyclobutyl]carbamic acid

C8H12N4O3 — CID 118608780

IUPAC[3-[4-(hydroxymethyl)triazol-1-yl]cyclobutyl]carbamic acid
SMILESO=C(O)NC1CC(n2cc(CO)nn2)C1
InChIInChI=1S/C8H12N4O3/c13-4-6-3-12(11-10-6)7-1-5(2-7)9-8(14)15/h3,5,7,9,13H,1-2,4H2,(H,14,15)
InChIKeyVIHMWRBRLGBHSW-UHFFFAOYSA-N
MW212.21 g/mol
LogP-0.26
Rot. Bonds3

About [3-[4-(hydroxymethyl)triazol-1-yl]cyclobutyl]carbamic acid

[3-[4-(hydroxymethyl)triazol-1-yl]cyclobutyl]carbamic acid (PubChem CID 118608780) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is [3-[4-(hydroxymethyl)triazol-1-yl]cyclobutyl]carbamic acid.

Molecular Properties

Compound Name[3-[4-(hydroxymethyl)triazol-1-yl]cyclobutyl]carbamic acid
PubChem CID118608780
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC Name[3-[4-(hydroxymethyl)triazol-1-yl]cyclobutyl]carbamic acid
SMILESO=C(O)NC1CC(n2cc(CO)nn2)C1
InChIInChI=1S/C8H12N4O3/c13-4-6-3-12(11-10-6)7-1-5(2-7)9-8(14)15/h3,5,7,9,13H,1-2,4H2,(H,14,15)
InChIKeyVIHMWRBRLGBHSW-UHFFFAOYSA-N
XLogP-0.26
TPSA100.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[4-(hydroxymethyl)triazol-1-yl]cyclobutyl]carbamic acid?
The IUPAC name of [3-[4-(hydroxymethyl)triazol-1-yl]cyclobutyl]carbamic acid (CID 118608780) is [3-[4-(hydroxymethyl)triazol-1-yl]cyclobutyl]carbamic acid.
What is the SMILES notation for [3-[4-(hydroxymethyl)triazol-1-yl]cyclobutyl]carbamic acid?
The canonical SMILES for [3-[4-(hydroxymethyl)triazol-1-yl]cyclobutyl]carbamic acid is O=C(O)NC1CC(n2cc(CO)nn2)C1.
What is the InChIKey of [3-[4-(hydroxymethyl)triazol-1-yl]cyclobutyl]carbamic acid?
The InChIKey is VIHMWRBRLGBHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3/c13-4-6-3-12(11-10-6)7-1-5(2-7)9-8(14)15/h3,5,7,9,13H,1-2,4H2,(H,14,15).
What are the key properties of [3-[4-(hydroxymethyl)triazol-1-yl]cyclobutyl]carbamic acid?
[3-[4-(hydroxymethyl)triazol-1-yl]cyclobutyl]carbamic acid has a molecular weight of 212.21 g/mol, XLogP of -0.26, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(hydroxymethyl)triazol-1-yl]cyclobutyl]carbamic acid is sourced from PubChem (CID 118608780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).