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

C12H21N5O3 — CID 79317057

IUPAC1-(azetidin-3-yl)-N,N-bis(2-methoxyethyl)triazole-4-carboxamide
SMILESCOCCN(CCOC)C(=O)c1cn(C2CNC2)nn1
InChIInChI=1S/C12H21N5O3/c1-19-5-3-16(4-6-20-2)12(18)11-9-17(15-14-11)10-7-13-8-10/h9-10,13H,3-8H2,1-2H3
InChIKeyUBDMNWONHJZNKE-UHFFFAOYSA-N
MW283.33 g/mol
LogP-0.84
Rot. Bonds8

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

1-(azetidin-3-yl)-N,N-bis(2-methoxyethyl)triazole-4-carboxamide (PubChem CID 79317057) has the molecular formula C12H21N5O3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-N,N-bis(2-methoxyethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(azetidin-3-yl)-N,N-bis(2-methoxyethyl)triazole-4-carboxamide
PubChem CID79317057
Molecular FormulaC12H21N5O3
Molecular Weight283.33 g/mol
Exact Mass283.16
IUPAC Name1-(azetidin-3-yl)-N,N-bis(2-methoxyethyl)triazole-4-carboxamide
SMILESCOCCN(CCOC)C(=O)c1cn(C2CNC2)nn1
InChIInChI=1S/C12H21N5O3/c1-19-5-3-16(4-6-20-2)12(18)11-9-17(15-14-11)10-7-13-8-10/h9-10,13H,3-8H2,1-2H3
InChIKeyUBDMNWONHJZNKE-UHFFFAOYSA-N
XLogP-0.84
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(azetidin-3-yl)-N-ethyl-N-(2-methoxyethyl)triazole-4-carboxamide
CID 79315991
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-(3-hydroxypropyl)-N-methyltriazole-4-carboxamide
CID 114230177
methyl 2-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]acetate
CID 79317214
1-(azetidin-3-yl)-N-ethoxytriazole-4-carboxamide
CID 79316945
1-(azetidin-3-yl)-N-(cyanomethyl)-N-prop-2-ynyltriazole-4-carboxamide
CID 114208752
N,N-bis(3-methylbutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672595
1-(azetidin-3-yl)-N-(3-hydroxypropyl)-N-propan-2-yltriazole-4-carboxamide
CID 79316371
1-[1-(azetidin-3-yl)triazol-4-yl]-2,2-dimethylpropan-1-one
CID 116590690
1-(azetidin-3-yl)-N-[4-(dimethylamino)butan-2-yl]triazole-4-carboxamide
CID 79316138
N,N-diethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119671423

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-N,N-bis(2-methoxyethyl)triazole-4-carboxamide?
The IUPAC name of 1-(azetidin-3-yl)-N,N-bis(2-methoxyethyl)triazole-4-carboxamide (CID 79317057) is 1-(azetidin-3-yl)-N,N-bis(2-methoxyethyl)triazole-4-carboxamide.
What is the SMILES notation for 1-(azetidin-3-yl)-N,N-bis(2-methoxyethyl)triazole-4-carboxamide?
The canonical SMILES for 1-(azetidin-3-yl)-N,N-bis(2-methoxyethyl)triazole-4-carboxamide is COCCN(CCOC)C(=O)c1cn(C2CNC2)nn1.
What is the InChIKey of 1-(azetidin-3-yl)-N,N-bis(2-methoxyethyl)triazole-4-carboxamide?
The InChIKey is UBDMNWONHJZNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O3/c1-19-5-3-16(4-6-20-2)12(18)11-9-17(15-14-11)10-7-13-8-10/h9-10,13H,3-8H2,1-2H3.
What are the key properties of 1-(azetidin-3-yl)-N,N-bis(2-methoxyethyl)triazole-4-carboxamide?
1-(azetidin-3-yl)-N,N-bis(2-methoxyethyl)triazole-4-carboxamide has a molecular weight of 283.33 g/mol, XLogP of -0.84, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-N,N-bis(2-methoxyethyl)triazole-4-carboxamide is sourced from PubChem (CID 79317057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).