1-(azetidin-3-yl)-N-(3-methoxypropyl)triazole-4-carboxamide

C10H17N5O2 — CID 79316040

IUPAC1-(azetidin-3-yl)-N-(3-methoxypropyl)triazole-4-carboxamide
SMILESCOCCCNC(=O)c1cn(C2CNC2)nn1
InChIInChI=1S/C10H17N5O2/c1-17-4-2-3-12-10(16)9-7-15(14-13-9)8-5-11-6-8/h7-8,11H,2-6H2,1H3,(H,12,16)
InChIKeyXWXSYQQCMQQXBN-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.81
Rot. Bonds6

About 1-(azetidin-3-yl)-N-(3-methoxypropyl)triazole-4-carboxamide

1-(azetidin-3-yl)-N-(3-methoxypropyl)triazole-4-carboxamide (PubChem CID 79316040) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-N-(3-methoxypropyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(azetidin-3-yl)-N-(3-methoxypropyl)triazole-4-carboxamide
PubChem CID79316040
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name1-(azetidin-3-yl)-N-(3-methoxypropyl)triazole-4-carboxamide
SMILESCOCCCNC(=O)c1cn(C2CNC2)nn1
InChIInChI=1S/C10H17N5O2/c1-17-4-2-3-12-10(16)9-7-15(14-13-9)8-5-11-6-8/h7-8,11H,2-6H2,1H3,(H,12,16)
InChIKeyXWXSYQQCMQQXBN-UHFFFAOYSA-N
XLogP-0.81
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(azetidin-3-yl)-N-(7-methyloctyl)triazole-4-carboxamide
CID 79318894
1-(azetidin-3-yl)-N-(2-phenoxyethyl)triazole-4-carboxamide
CID 79319023
methyl 2-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]acetate
CID 79317214
1-piperidin-4-yl-N-(3-propan-2-yloxypropyl)triazole-4-carboxamide
CID 63284386
1-(azetidin-3-yl)-N,N-bis(2-methoxyethyl)triazole-4-carboxamide
CID 79317057
1-(azetidin-3-yl)-N-ethoxytriazole-4-carboxamide
CID 79316945
4-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]-2-hydroxybutanoic acid
CID 107836254
N-[3-(4-methylphenoxy)propyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119757238
1-(azetidin-3-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide
CID 106415982
1-(azetidin-3-yl)-N-[3-(butan-2-ylamino)-3-oxopropyl]triazole-4-carboxamide
CID 79319330
1-(azetidin-3-yl)-N-(2,2-dicyclopropylethyl)triazole-4-carboxamide
CID 79316339
1-(azetidin-3-yl)-N-pentan-3-yltriazole-4-carboxamide
CID 79316819

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-N-(3-methoxypropyl)triazole-4-carboxamide?
The IUPAC name of 1-(azetidin-3-yl)-N-(3-methoxypropyl)triazole-4-carboxamide (CID 79316040) is 1-(azetidin-3-yl)-N-(3-methoxypropyl)triazole-4-carboxamide.
What is the SMILES notation for 1-(azetidin-3-yl)-N-(3-methoxypropyl)triazole-4-carboxamide?
The canonical SMILES for 1-(azetidin-3-yl)-N-(3-methoxypropyl)triazole-4-carboxamide is COCCCNC(=O)c1cn(C2CNC2)nn1.
What is the InChIKey of 1-(azetidin-3-yl)-N-(3-methoxypropyl)triazole-4-carboxamide?
The InChIKey is XWXSYQQCMQQXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-17-4-2-3-12-10(16)9-7-15(14-13-9)8-5-11-6-8/h7-8,11H,2-6H2,1H3,(H,12,16).
What are the key properties of 1-(azetidin-3-yl)-N-(3-methoxypropyl)triazole-4-carboxamide?
1-(azetidin-3-yl)-N-(3-methoxypropyl)triazole-4-carboxamide has a molecular weight of 239.28 g/mol, XLogP of -0.81, 6 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-(3-methoxypropyl)triazole-4-carboxamide is sourced from PubChem (CID 79316040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).