1-(azetidin-3-yl)-N-ethoxytriazole-4-carboxamide

C8H13N5O2 — CID 79316945

IUPAC1-(azetidin-3-yl)-N-ethoxytriazole-4-carboxamide
SMILESCCONC(=O)c1cn(C2CNC2)nn1
InChIInChI=1S/C8H13N5O2/c1-2-15-11-8(14)7-5-13(12-10-7)6-3-9-4-6/h5-6,9H,2-4H2,1H3,(H,11,14)
InChIKeyKKHBFVOBVLLFQS-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.90
Rot. Bonds4

About 1-(azetidin-3-yl)-N-ethoxytriazole-4-carboxamide

1-(azetidin-3-yl)-N-ethoxytriazole-4-carboxamide (PubChem CID 79316945) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-N-ethoxytriazole-4-carboxamide.

Molecular Properties

Compound Name1-(azetidin-3-yl)-N-ethoxytriazole-4-carboxamide
PubChem CID79316945
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC Name1-(azetidin-3-yl)-N-ethoxytriazole-4-carboxamide
SMILESCCONC(=O)c1cn(C2CNC2)nn1
InChIInChI=1S/C8H13N5O2/c1-2-15-11-8(14)7-5-13(12-10-7)6-3-9-4-6/h5-6,9H,2-4H2,1H3,(H,11,14)
InChIKeyKKHBFVOBVLLFQS-UHFFFAOYSA-N
XLogP-0.90
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]acetate
CID 79317214
1-(azetidin-3-yl)-N-pentan-3-yltriazole-4-carboxamide
CID 79316819
1-(azetidin-3-yl)-N-(3-methoxypropyl)triazole-4-carboxamide
CID 79316040
methyl (2S)-2-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]-4-methylpentanoate
CID 103954754
N-(4-amino-2-methyl-4-oxobutan-2-yl)-1-(azetidin-3-yl)triazole-4-carboxamide
CID 106096632
1-(azetidin-3-yl)-N-(6-methylheptan-2-yl)triazole-4-carboxamide
CID 79316211
1-(azetidin-3-yl)-N-(2,2,3,3-tetramethylcyclopropyl)triazole-4-carboxamide
CID 79362782
1-[1-(azetidin-3-yl)triazol-4-yl]-3-ethylpentan-1-one
CID 116590705
1-(azetidin-3-yl)-N-[1-oxo-1-(propylamino)propan-2-yl]triazole-4-carboxamide
CID 79316363
1-(azetidin-3-yl)-N-(7-methyloctyl)triazole-4-carboxamide
CID 79318894
1-(azetidin-3-yl)-N-(4-methylhexan-2-yl)triazole-4-carboxamide
CID 79326360
1-(azetidin-3-yl)-N-(2,2-dicyclopropylethyl)triazole-4-carboxamide
CID 79316339

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-N-ethoxytriazole-4-carboxamide?
The IUPAC name of 1-(azetidin-3-yl)-N-ethoxytriazole-4-carboxamide (CID 79316945) is 1-(azetidin-3-yl)-N-ethoxytriazole-4-carboxamide.
What is the SMILES notation for 1-(azetidin-3-yl)-N-ethoxytriazole-4-carboxamide?
The canonical SMILES for 1-(azetidin-3-yl)-N-ethoxytriazole-4-carboxamide is CCONC(=O)c1cn(C2CNC2)nn1.
What is the InChIKey of 1-(azetidin-3-yl)-N-ethoxytriazole-4-carboxamide?
The InChIKey is KKHBFVOBVLLFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2/c1-2-15-11-8(14)7-5-13(12-10-7)6-3-9-4-6/h5-6,9H,2-4H2,1H3,(H,11,14).
What are the key properties of 1-(azetidin-3-yl)-N-ethoxytriazole-4-carboxamide?
1-(azetidin-3-yl)-N-ethoxytriazole-4-carboxamide has a molecular weight of 211.22 g/mol, XLogP of -0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-N-ethoxytriazole-4-carboxamide is sourced from PubChem (CID 79316945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).