N-[3-[4-(1-hydroxyethyl)triazol-1-yl]cyclobutyl]formamide

C9H14N4O2 — CID 145123869

IUPACN-[3-[4-(1-hydroxyethyl)triazol-1-yl]cyclobutyl]formamide
SMILESCC(O)c1cn(C2CC(NC=O)C2)nn1
InChIInChI=1S/C9H14N4O2/c1-6(15)9-4-13(12-11-9)8-2-7(3-8)10-5-14/h4-8,15H,2-3H2,1H3,(H,10,14)
InChIKeyHVUKMFDKFUGFGX-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.22
Rot. Bonds4

About N-[3-[4-(1-hydroxyethyl)triazol-1-yl]cyclobutyl]formamide

N-[3-[4-(1-hydroxyethyl)triazol-1-yl]cyclobutyl]formamide (PubChem CID 145123869) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is N-[3-[4-(1-hydroxyethyl)triazol-1-yl]cyclobutyl]formamide.

Molecular Properties

Compound NameN-[3-[4-(1-hydroxyethyl)triazol-1-yl]cyclobutyl]formamide
PubChem CID145123869
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC NameN-[3-[4-(1-hydroxyethyl)triazol-1-yl]cyclobutyl]formamide
SMILESCC(O)c1cn(C2CC(NC=O)C2)nn1
InChIInChI=1S/C9H14N4O2/c1-6(15)9-4-13(12-11-9)8-2-7(3-8)10-5-14/h4-8,15H,2-3H2,1H3,(H,10,14)
InChIKeyHVUKMFDKFUGFGX-UHFFFAOYSA-N
XLogP-0.22
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(1-hydroxyethyl)triazol-1-yl]cyclobutyl]formamide?
The IUPAC name of N-[3-[4-(1-hydroxyethyl)triazol-1-yl]cyclobutyl]formamide (CID 145123869) is N-[3-[4-(1-hydroxyethyl)triazol-1-yl]cyclobutyl]formamide.
What is the SMILES notation for N-[3-[4-(1-hydroxyethyl)triazol-1-yl]cyclobutyl]formamide?
The canonical SMILES for N-[3-[4-(1-hydroxyethyl)triazol-1-yl]cyclobutyl]formamide is CC(O)c1cn(C2CC(NC=O)C2)nn1.
What is the InChIKey of N-[3-[4-(1-hydroxyethyl)triazol-1-yl]cyclobutyl]formamide?
The InChIKey is HVUKMFDKFUGFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-6(15)9-4-13(12-11-9)8-2-7(3-8)10-5-14/h4-8,15H,2-3H2,1H3,(H,10,14).
What are the key properties of N-[3-[4-(1-hydroxyethyl)triazol-1-yl]cyclobutyl]formamide?
N-[3-[4-(1-hydroxyethyl)triazol-1-yl]cyclobutyl]formamide has a molecular weight of 210.24 g/mol, XLogP of -0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(1-hydroxyethyl)triazol-1-yl]cyclobutyl]formamide is sourced from PubChem (CID 145123869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).