1-(azetidin-3-yl)-N-(2-hydroxy-3-methoxypropyl)-N-methyltriazole-4-carboxamide

C11H19N5O3 — CID 79316701

IUPAC1-(azetidin-3-yl)-N-(2-hydroxy-3-methoxypropyl)-N-methyltriazole-4-carboxamide
SMILESCOCC(O)CN(C)C(=O)c1cn(C2CNC2)nn1
InChIInChI=1S/C11H19N5O3/c1-15(5-9(17)7-19-2)11(18)10-6-16(14-13-10)8-3-12-4-8/h6,8-9,12,17H,3-5,7H2,1-2H3
InChIKeyIKCGRPVWWNZXKD-UHFFFAOYSA-N
MW269.31 g/mol
LogP-1.50
Rot. Bonds6

About 1-(azetidin-3-yl)-N-(2-hydroxy-3-methoxypropyl)-N-methyltriazole-4-carboxamide

1-(azetidin-3-yl)-N-(2-hydroxy-3-methoxypropyl)-N-methyltriazole-4-carboxamide (PubChem CID 79316701) has the molecular formula C11H19N5O3 and a molecular weight of 269.31 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-N-(2-hydroxy-3-methoxypropyl)-N-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(azetidin-3-yl)-N-(2-hydroxy-3-methoxypropyl)-N-methyltriazole-4-carboxamide
PubChem CID79316701
Molecular FormulaC11H19N5O3
Molecular Weight269.31 g/mol
Exact Mass269.15
IUPAC Name1-(azetidin-3-yl)-N-(2-hydroxy-3-methoxypropyl)-N-methyltriazole-4-carboxamide
SMILESCOCC(O)CN(C)C(=O)c1cn(C2CNC2)nn1
InChIInChI=1S/C11H19N5O3/c1-15(5-9(17)7-19-2)11(18)10-6-16(14-13-10)8-3-12-4-8/h6,8-9,12,17H,3-5,7H2,1-2H3
InChIKeyIKCGRPVWWNZXKD-UHFFFAOYSA-N
XLogP-1.50
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 5-1.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(azetidin-3-yl)-N,N-bis(2-methoxyethyl)triazole-4-carboxamide
CID 79317057
1-(azetidin-3-yl)-N-(3-hydroxypropyl)-N-methyltriazole-4-carboxamide
CID 114230177
1-(azetidin-3-yl)-N-ethyl-N-(2-methoxyethyl)triazole-4-carboxamide
CID 79315991
1-(azetidin-3-yl)-N-cyclopropyl-N-(2-methylpropyl)triazole-4-carboxamide
CID 79316126
2-[[1-(azetidin-3-yl)triazole-4-carbonyl]-methylamino]butanoic acid
CID 79317005
1-(azetidin-3-yl)-N-ethoxytriazole-4-carboxamide
CID 79316945
1-(azetidin-3-yl)-N-(3-methoxypropyl)triazole-4-carboxamide
CID 79316040
[1-(azetidin-3-yl)triazol-4-yl]-(3-hydroxy-3-propylazetidin-1-yl)methanone
CID 107219846
1-(azetidin-3-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]triazole-4-carboxamide
CID 79327138
2-[[1-(azetidin-3-yl)triazole-4-carbonyl]-propylamino]acetic acid
CID 79316931
1-(azetidin-3-yl)-N-(1-cyanopropan-2-yl)-N-methyltriazole-4-carboxamide
CID 79316224
[1-(azetidin-3-yl)triazol-4-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 79316632

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-N-(2-hydroxy-3-methoxypropyl)-N-methyltriazole-4-carboxamide?
The IUPAC name of 1-(azetidin-3-yl)-N-(2-hydroxy-3-methoxypropyl)-N-methyltriazole-4-carboxamide (CID 79316701) is 1-(azetidin-3-yl)-N-(2-hydroxy-3-methoxypropyl)-N-methyltriazole-4-carboxamide.
What is the SMILES notation for 1-(azetidin-3-yl)-N-(2-hydroxy-3-methoxypropyl)-N-methyltriazole-4-carboxamide?
The canonical SMILES for 1-(azetidin-3-yl)-N-(2-hydroxy-3-methoxypropyl)-N-methyltriazole-4-carboxamide is COCC(O)CN(C)C(=O)c1cn(C2CNC2)nn1.
What is the InChIKey of 1-(azetidin-3-yl)-N-(2-hydroxy-3-methoxypropyl)-N-methyltriazole-4-carboxamide?
The InChIKey is IKCGRPVWWNZXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3/c1-15(5-9(17)7-19-2)11(18)10-6-16(14-13-10)8-3-12-4-8/h6,8-9,12,17H,3-5,7H2,1-2H3.
What are the key properties of 1-(azetidin-3-yl)-N-(2-hydroxy-3-methoxypropyl)-N-methyltriazole-4-carboxamide?
1-(azetidin-3-yl)-N-(2-hydroxy-3-methoxypropyl)-N-methyltriazole-4-carboxamide has a molecular weight of 269.31 g/mol, XLogP of -1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-N-(2-hydroxy-3-methoxypropyl)-N-methyltriazole-4-carboxamide is sourced from PubChem (CID 79316701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).