1-(azetidin-3-yl)-N-[1-oxo-1-(propylamino)propan-2-yl]triazole-4-carboxamide

C12H20N6O2 — CID 79316363

IUPAC1-(azetidin-3-yl)-N-[1-oxo-1-(propylamino)propan-2-yl]triazole-4-carboxamide
SMILESCCCNC(=O)C(C)NC(=O)c1cn(C2CNC2)nn1
InChIInChI=1S/C12H20N6O2/c1-3-4-14-11(19)8(2)15-12(20)10-7-18(17-16-10)9-5-13-6-9/h7-9,13H,3-6H2,1-2H3,(H,14,19)(H,15,20)
InChIKeyZFHIKHXMAWKVTR-UHFFFAOYSA-N
MW280.33 g/mol
LogP-0.93
Rot. Bonds6

About 1-(azetidin-3-yl)-N-[1-oxo-1-(propylamino)propan-2-yl]triazole-4-carboxamide

1-(azetidin-3-yl)-N-[1-oxo-1-(propylamino)propan-2-yl]triazole-4-carboxamide (PubChem CID 79316363) has the molecular formula C12H20N6O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-N-[1-oxo-1-(propylamino)propan-2-yl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(azetidin-3-yl)-N-[1-oxo-1-(propylamino)propan-2-yl]triazole-4-carboxamide
PubChem CID79316363
Molecular FormulaC12H20N6O2
Molecular Weight280.33 g/mol
Exact Mass280.16
IUPAC Name1-(azetidin-3-yl)-N-[1-oxo-1-(propylamino)propan-2-yl]triazole-4-carboxamide
SMILESCCCNC(=O)C(C)NC(=O)c1cn(C2CNC2)nn1
InChIInChI=1S/C12H20N6O2/c1-3-4-14-11(19)8(2)15-12(20)10-7-18(17-16-10)9-5-13-6-9/h7-9,13H,3-6H2,1-2H3,(H,14,19)(H,15,20)
InChIKeyZFHIKHXMAWKVTR-UHFFFAOYSA-N
XLogP-0.93
TPSA100.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-(azetidin-3-yl)-N-pentan-3-yltriazole-4-carboxamide
CID 79316819
1-(azetidin-3-yl)-N-(4-methylhexan-2-yl)triazole-4-carboxamide
CID 79326360
1-(azetidin-3-yl)-N-(6-methylheptan-2-yl)triazole-4-carboxamide
CID 79316211
1-(azetidin-3-yl)-N-[4-(dimethylamino)butan-2-yl]triazole-4-carboxamide
CID 79316138
methyl (2S)-2-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]-4-methylpentanoate
CID 103954754
1-(azetidin-3-yl)-N-[3-(butan-2-ylamino)-3-oxopropyl]triazole-4-carboxamide
CID 79319330
1-(azetidin-3-yl)-N-(7-methyloctyl)triazole-4-carboxamide
CID 79318894
1-(azetidin-3-yl)-N-ethoxytriazole-4-carboxamide
CID 79316945
1-(azetidin-3-yl)-N-[(1R)-1-(4-chlorophenyl)ethyl]triazole-4-carboxamide
CID 81356647
1-(azetidin-3-yl)-N-(3-methoxypropyl)triazole-4-carboxamide
CID 79316040
1-[1-(azetidin-3-yl)triazol-4-yl]-3-ethylpentan-1-one
CID 116590705
methyl 2-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]acetate
CID 79317214

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-N-[1-oxo-1-(propylamino)propan-2-yl]triazole-4-carboxamide?
The IUPAC name of 1-(azetidin-3-yl)-N-[1-oxo-1-(propylamino)propan-2-yl]triazole-4-carboxamide (CID 79316363) is 1-(azetidin-3-yl)-N-[1-oxo-1-(propylamino)propan-2-yl]triazole-4-carboxamide.
What is the SMILES notation for 1-(azetidin-3-yl)-N-[1-oxo-1-(propylamino)propan-2-yl]triazole-4-carboxamide?
The canonical SMILES for 1-(azetidin-3-yl)-N-[1-oxo-1-(propylamino)propan-2-yl]triazole-4-carboxamide is CCCNC(=O)C(C)NC(=O)c1cn(C2CNC2)nn1.
What is the InChIKey of 1-(azetidin-3-yl)-N-[1-oxo-1-(propylamino)propan-2-yl]triazole-4-carboxamide?
The InChIKey is ZFHIKHXMAWKVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O2/c1-3-4-14-11(19)8(2)15-12(20)10-7-18(17-16-10)9-5-13-6-9/h7-9,13H,3-6H2,1-2H3,(H,14,19)(H,15,20).
What are the key properties of 1-(azetidin-3-yl)-N-[1-oxo-1-(propylamino)propan-2-yl]triazole-4-carboxamide?
1-(azetidin-3-yl)-N-[1-oxo-1-(propylamino)propan-2-yl]triazole-4-carboxamide has a molecular weight of 280.33 g/mol, XLogP of -0.93, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-N-[1-oxo-1-(propylamino)propan-2-yl]triazole-4-carboxamide is sourced from PubChem (CID 79316363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).