1-(azetidin-3-yl)-N-ethyl-N-(2-methoxyethyl)triazole-4-carboxamide

C11H19N5O2 — CID 79315991

IUPAC1-(azetidin-3-yl)-N-ethyl-N-(2-methoxyethyl)triazole-4-carboxamide
SMILESCCN(CCOC)C(=O)c1cn(C2CNC2)nn1
InChIInChI=1S/C11H19N5O2/c1-3-15(4-5-18-2)11(17)10-8-16(14-13-10)9-6-12-7-9/h8-9,12H,3-7H2,1-2H3
InChIKeySURUKKGABDCMDR-UHFFFAOYSA-N
MW253.31 g/mol
LogP-0.47
Rot. Bonds6

About 1-(azetidin-3-yl)-N-ethyl-N-(2-methoxyethyl)triazole-4-carboxamide

1-(azetidin-3-yl)-N-ethyl-N-(2-methoxyethyl)triazole-4-carboxamide (PubChem CID 79315991) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-N-ethyl-N-(2-methoxyethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(azetidin-3-yl)-N-ethyl-N-(2-methoxyethyl)triazole-4-carboxamide
PubChem CID79315991
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name1-(azetidin-3-yl)-N-ethyl-N-(2-methoxyethyl)triazole-4-carboxamide
SMILESCCN(CCOC)C(=O)c1cn(C2CNC2)nn1
InChIInChI=1S/C11H19N5O2/c1-3-15(4-5-18-2)11(17)10-8-16(14-13-10)9-6-12-7-9/h8-9,12H,3-7H2,1-2H3
InChIKeySURUKKGABDCMDR-UHFFFAOYSA-N
XLogP-0.47
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(azetidin-3-yl)-N,N-bis(2-methoxyethyl)triazole-4-carboxamide
CID 79317057
2-[[1-(azetidin-3-yl)triazole-4-carbonyl]-propylamino]acetic acid
CID 79316931
N,N-diethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119671423
1-(azetidin-3-yl)-N-(3-methoxypropyl)triazole-4-carboxamide
CID 79316040
1-(azetidin-3-yl)-N-(2-hydroxy-3-methoxypropyl)-N-methyltriazole-4-carboxamide
CID 79316701
1-(azetidin-3-yl)-N-ethoxytriazole-4-carboxamide
CID 79316945
1-(azetidin-3-yl)-N-(3-hydroxypropyl)-N-methyltriazole-4-carboxamide
CID 114230177
N-(cyclopropylmethyl)-N-ethyl-1-piperidin-4-yltriazole-4-carboxamide
CID 63954765
methyl 2-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]acetate
CID 79317214
ethyl 2-[[1-(azetidin-3-yl)triazole-4-carbonyl]-cyclopropylamino]acetate
CID 79319742
1-(azetidin-3-yl)-N-(3-hydroxypropyl)-N-propan-2-yltriazole-4-carboxamide
CID 79316371
1-(azetidin-3-yl)-N-(cyanomethyl)-N-prop-2-ynyltriazole-4-carboxamide
CID 114208752

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-N-ethyl-N-(2-methoxyethyl)triazole-4-carboxamide?
The IUPAC name of 1-(azetidin-3-yl)-N-ethyl-N-(2-methoxyethyl)triazole-4-carboxamide (CID 79315991) is 1-(azetidin-3-yl)-N-ethyl-N-(2-methoxyethyl)triazole-4-carboxamide.
What is the SMILES notation for 1-(azetidin-3-yl)-N-ethyl-N-(2-methoxyethyl)triazole-4-carboxamide?
The canonical SMILES for 1-(azetidin-3-yl)-N-ethyl-N-(2-methoxyethyl)triazole-4-carboxamide is CCN(CCOC)C(=O)c1cn(C2CNC2)nn1.
What is the InChIKey of 1-(azetidin-3-yl)-N-ethyl-N-(2-methoxyethyl)triazole-4-carboxamide?
The InChIKey is SURUKKGABDCMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-3-15(4-5-18-2)11(17)10-8-16(14-13-10)9-6-12-7-9/h8-9,12H,3-7H2,1-2H3.
What are the key properties of 1-(azetidin-3-yl)-N-ethyl-N-(2-methoxyethyl)triazole-4-carboxamide?
1-(azetidin-3-yl)-N-ethyl-N-(2-methoxyethyl)triazole-4-carboxamide has a molecular weight of 253.31 g/mol, XLogP of -0.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-N-ethyl-N-(2-methoxyethyl)triazole-4-carboxamide is sourced from PubChem (CID 79315991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).