[1-(azetidin-3-yl)triazol-4-yl]-(3-hydroxy-3-propylazetidin-1-yl)methanone

C12H19N5O2 — CID 107219846

IUPAC[1-(azetidin-3-yl)triazol-4-yl]-(3-hydroxy-3-propylazetidin-1-yl)methanone
SMILESCCCC1(O)CN(C(=O)c2cn(C3CNC3)nn2)C1
InChIInChI=1S/C12H19N5O2/c1-2-3-12(19)7-16(8-12)11(18)10-6-17(15-14-10)9-4-13-5-9/h6,9,13,19H,2-5,7-8H2,1H3
InChIKeyYXBIJBQCWHWBPX-UHFFFAOYSA-N
MW265.32 g/mol
LogP-0.59
Rot. Bonds4

About [1-(azetidin-3-yl)triazol-4-yl]-(3-hydroxy-3-propylazetidin-1-yl)methanone

[1-(azetidin-3-yl)triazol-4-yl]-(3-hydroxy-3-propylazetidin-1-yl)methanone (PubChem CID 107219846) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is [1-(azetidin-3-yl)triazol-4-yl]-(3-hydroxy-3-propylazetidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(azetidin-3-yl)triazol-4-yl]-(3-hydroxy-3-propylazetidin-1-yl)methanone
PubChem CID107219846
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name[1-(azetidin-3-yl)triazol-4-yl]-(3-hydroxy-3-propylazetidin-1-yl)methanone
SMILESCCCC1(O)CN(C(=O)c2cn(C3CNC3)nn2)C1
InChIInChI=1S/C12H19N5O2/c1-2-3-12(19)7-16(8-12)11(18)10-6-17(15-14-10)9-4-13-5-9/h6,9,13,19H,2-5,7-8H2,1H3
InChIKeyYXBIJBQCWHWBPX-UHFFFAOYSA-N
XLogP-0.59
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(azetidin-3-yl)triazol-4-yl]-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 79316629
1-[1-(azetidin-3-yl)triazole-4-carbonyl]-4-methylpiperidine-4-carboxylic acid
CID 79319457
1-[1-(azetidin-3-yl)triazole-4-carbonyl]azetidine-3-carboxylic acid
CID 79327249
[1-(azetidin-3-yl)triazol-4-yl]-(4-methoxypiperidin-1-yl)methanone
CID 79316756
[1-(azetidin-3-yl)triazol-4-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 79316632
1-(azetidin-3-yl)-N-(2-hydroxy-3-methoxypropyl)-N-methyltriazole-4-carboxamide
CID 79316701
1-(azetidin-3-yl)-N-ethoxytriazole-4-carboxamide
CID 79316945
2-[1-[1-(azetidin-3-yl)triazole-4-carbonyl]piperidin-4-yl]acetic acid
CID 79612748
[1-(azetidin-3-yl)triazol-4-yl]-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 79316530
[1-(azetidin-3-yl)triazol-4-yl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 79320031
1-[1-(azetidin-3-yl)triazol-4-yl]-3-ethylpentan-1-one
CID 116590705
2-[[1-(azetidin-3-yl)triazole-4-carbonyl]-propylamino]acetic acid
CID 79316931

Frequently Asked Questions

What is the IUPAC name of [1-(azetidin-3-yl)triazol-4-yl]-(3-hydroxy-3-propylazetidin-1-yl)methanone?
The IUPAC name of [1-(azetidin-3-yl)triazol-4-yl]-(3-hydroxy-3-propylazetidin-1-yl)methanone (CID 107219846) is [1-(azetidin-3-yl)triazol-4-yl]-(3-hydroxy-3-propylazetidin-1-yl)methanone.
What is the SMILES notation for [1-(azetidin-3-yl)triazol-4-yl]-(3-hydroxy-3-propylazetidin-1-yl)methanone?
The canonical SMILES for [1-(azetidin-3-yl)triazol-4-yl]-(3-hydroxy-3-propylazetidin-1-yl)methanone is CCCC1(O)CN(C(=O)c2cn(C3CNC3)nn2)C1.
What is the InChIKey of [1-(azetidin-3-yl)triazol-4-yl]-(3-hydroxy-3-propylazetidin-1-yl)methanone?
The InChIKey is YXBIJBQCWHWBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-2-3-12(19)7-16(8-12)11(18)10-6-17(15-14-10)9-4-13-5-9/h6,9,13,19H,2-5,7-8H2,1H3.
What are the key properties of [1-(azetidin-3-yl)triazol-4-yl]-(3-hydroxy-3-propylazetidin-1-yl)methanone?
[1-(azetidin-3-yl)triazol-4-yl]-(3-hydroxy-3-propylazetidin-1-yl)methanone has a molecular weight of 265.32 g/mol, XLogP of -0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(azetidin-3-yl)triazol-4-yl]-(3-hydroxy-3-propylazetidin-1-yl)methanone is sourced from PubChem (CID 107219846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).