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

C13H22N6O2 — CID 79319330

IUPAC1-(azetidin-3-yl)-N-[3-(butan-2-ylamino)-3-oxopropyl]triazole-4-carboxamide
SMILESCCC(C)NC(=O)CCNC(=O)c1cn(C2CNC2)nn1
InChIInChI=1S/C13H22N6O2/c1-3-9(2)16-12(20)4-5-15-13(21)11-8-19(18-17-11)10-6-14-7-10/h8-10,14H,3-7H2,1-2H3,(H,15,21)(H,16,20)
InChIKeyMJAPUQCQMMLSPQ-UHFFFAOYSA-N
MW294.36 g/mol
LogP-0.54
Rot. Bonds7

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

1-(azetidin-3-yl)-N-[3-(butan-2-ylamino)-3-oxopropyl]triazole-4-carboxamide (PubChem CID 79319330) has the molecular formula C13H22N6O2 and a molecular weight of 294.36 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-N-[3-(butan-2-ylamino)-3-oxopropyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(azetidin-3-yl)-N-[3-(butan-2-ylamino)-3-oxopropyl]triazole-4-carboxamide
PubChem CID79319330
Molecular FormulaC13H22N6O2
Molecular Weight294.36 g/mol
Exact Mass294.18
IUPAC Name1-(azetidin-3-yl)-N-[3-(butan-2-ylamino)-3-oxopropyl]triazole-4-carboxamide
SMILESCCC(C)NC(=O)CCNC(=O)c1cn(C2CNC2)nn1
InChIInChI=1S/C13H22N6O2/c1-3-9(2)16-12(20)4-5-15-13(21)11-8-19(18-17-11)10-6-14-7-10/h8-10,14H,3-7H2,1-2H3,(H,15,21)(H,16,20)
InChIKeyMJAPUQCQMMLSPQ-UHFFFAOYSA-N
XLogP-0.54
TPSA100.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 5-0.54
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-[1-oxo-1-(propylamino)propan-2-yl]triazole-4-carboxamide
CID 79316363
1-(azetidin-3-yl)-N-(7-methyloctyl)triazole-4-carboxamide
CID 79318894
1-(azetidin-3-yl)-N-(3-methoxypropyl)triazole-4-carboxamide
CID 79316040
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
4-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]-2-hydroxybutanoic acid
CID 107836254
methyl 2-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]acetate
CID 79317214
1-[1-(azetidin-3-yl)triazol-4-yl]-3-ethylpentan-1-one
CID 116590705
1-(azetidin-3-yl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)triazole-4-carboxamide
CID 79318915
methyl (2S)-2-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]-4-methylpentanoate
CID 103954754

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-N-[3-(butan-2-ylamino)-3-oxopropyl]triazole-4-carboxamide?
The IUPAC name of 1-(azetidin-3-yl)-N-[3-(butan-2-ylamino)-3-oxopropyl]triazole-4-carboxamide (CID 79319330) is 1-(azetidin-3-yl)-N-[3-(butan-2-ylamino)-3-oxopropyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(azetidin-3-yl)-N-[3-(butan-2-ylamino)-3-oxopropyl]triazole-4-carboxamide?
The canonical SMILES for 1-(azetidin-3-yl)-N-[3-(butan-2-ylamino)-3-oxopropyl]triazole-4-carboxamide is CCC(C)NC(=O)CCNC(=O)c1cn(C2CNC2)nn1.
What is the InChIKey of 1-(azetidin-3-yl)-N-[3-(butan-2-ylamino)-3-oxopropyl]triazole-4-carboxamide?
The InChIKey is MJAPUQCQMMLSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O2/c1-3-9(2)16-12(20)4-5-15-13(21)11-8-19(18-17-11)10-6-14-7-10/h8-10,14H,3-7H2,1-2H3,(H,15,21)(H,16,20).
What are the key properties of 1-(azetidin-3-yl)-N-[3-(butan-2-ylamino)-3-oxopropyl]triazole-4-carboxamide?
1-(azetidin-3-yl)-N-[3-(butan-2-ylamino)-3-oxopropyl]triazole-4-carboxamide has a molecular weight of 294.36 g/mol, XLogP of -0.54, 7 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-[3-(butan-2-ylamino)-3-oxopropyl]triazole-4-carboxamide is sourced from PubChem (CID 79319330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).