1-(azetidin-3-yl)-N-[4-(dimethylamino)butan-2-yl]triazole-4-carboxamide

C12H22N6O — CID 79316138

IUPAC1-(azetidin-3-yl)-N-[4-(dimethylamino)butan-2-yl]triazole-4-carboxamide
SMILESCC(CCN(C)C)NC(=O)c1cn(C2CNC2)nn1
InChIInChI=1S/C12H22N6O/c1-9(4-5-17(2)3)14-12(19)11-8-18(16-15-11)10-6-13-7-10/h8-10,13H,4-7H2,1-3H3,(H,14,19)
InChIKeyMGNLIHDFXVIHPX-UHFFFAOYSA-N
MW266.35 g/mol
LogP-0.51
Rot. Bonds6

About 1-(azetidin-3-yl)-N-[4-(dimethylamino)butan-2-yl]triazole-4-carboxamide

1-(azetidin-3-yl)-N-[4-(dimethylamino)butan-2-yl]triazole-4-carboxamide (PubChem CID 79316138) has the molecular formula C12H22N6O and a molecular weight of 266.35 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-N-[4-(dimethylamino)butan-2-yl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(azetidin-3-yl)-N-[4-(dimethylamino)butan-2-yl]triazole-4-carboxamide
PubChem CID79316138
Molecular FormulaC12H22N6O
Molecular Weight266.35 g/mol
Exact Mass266.19
IUPAC Name1-(azetidin-3-yl)-N-[4-(dimethylamino)butan-2-yl]triazole-4-carboxamide
SMILESCC(CCN(C)C)NC(=O)c1cn(C2CNC2)nn1
InChIInChI=1S/C12H22N6O/c1-9(4-5-17(2)3)14-12(19)11-8-18(16-15-11)10-6-13-7-10/h8-10,13H,4-7H2,1-3H3,(H,14,19)
InChIKeyMGNLIHDFXVIHPX-UHFFFAOYSA-N
XLogP-0.51
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(azetidin-3-yl)-N-(6-methylheptan-2-yl)triazole-4-carboxamide
CID 79316211
1-(azetidin-3-yl)-N-(4-methylhexan-2-yl)triazole-4-carboxamide
CID 79326360
1-(azetidin-3-yl)-N-pentan-3-yltriazole-4-carboxamide
CID 79316819
1-(azetidin-3-yl)-N-[1-oxo-1-(propylamino)propan-2-yl]triazole-4-carboxamide
CID 79316363
methyl (2S)-2-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]-4-methylpentanoate
CID 103954754
1-(azetidin-3-yl)-N-(7-methyloctyl)triazole-4-carboxamide
CID 79318894
1-(azetidin-3-yl)-N-[3-(butan-2-ylamino)-3-oxopropyl]triazole-4-carboxamide
CID 79319330
N-(1-hydroxypropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63282853
1-(azetidin-3-yl)-N-[(1R)-1-(4-chlorophenyl)ethyl]triazole-4-carboxamide
CID 81356647
methyl 2-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]acetate
CID 79317214
N-heptan-2-yl-1-piperidin-4-yltriazole-4-carboxamide
CID 63283433
1-(azetidin-3-yl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]triazole-4-carboxamide
CID 106388466

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-N-[4-(dimethylamino)butan-2-yl]triazole-4-carboxamide?
The IUPAC name of 1-(azetidin-3-yl)-N-[4-(dimethylamino)butan-2-yl]triazole-4-carboxamide (CID 79316138) is 1-(azetidin-3-yl)-N-[4-(dimethylamino)butan-2-yl]triazole-4-carboxamide.
What is the SMILES notation for 1-(azetidin-3-yl)-N-[4-(dimethylamino)butan-2-yl]triazole-4-carboxamide?
The canonical SMILES for 1-(azetidin-3-yl)-N-[4-(dimethylamino)butan-2-yl]triazole-4-carboxamide is CC(CCN(C)C)NC(=O)c1cn(C2CNC2)nn1.
What is the InChIKey of 1-(azetidin-3-yl)-N-[4-(dimethylamino)butan-2-yl]triazole-4-carboxamide?
The InChIKey is MGNLIHDFXVIHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O/c1-9(4-5-17(2)3)14-12(19)11-8-18(16-15-11)10-6-13-7-10/h8-10,13H,4-7H2,1-3H3,(H,14,19).
What are the key properties of 1-(azetidin-3-yl)-N-[4-(dimethylamino)butan-2-yl]triazole-4-carboxamide?
1-(azetidin-3-yl)-N-[4-(dimethylamino)butan-2-yl]triazole-4-carboxamide has a molecular weight of 266.35 g/mol, XLogP of -0.51, 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-[4-(dimethylamino)butan-2-yl]triazole-4-carboxamide is sourced from PubChem (CID 79316138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).