(1-methylpyrrol-2-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone

C17H17N5O — CID 75473419

IUPAC(1-methylpyrrol-2-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone
SMILESCn1cccc1C(=O)N1CC(n2cc(-c3ccccc3)nn2)C1
InChIInChI=1S/C17H17N5O/c1-20-9-5-8-16(20)17(23)21-10-14(11-21)22-12-15(18-19-22)13-6-3-2-4-7-13/h2-9,12,14H,10-11H2,1H3
InChIKeyNLELKRXNUGEZQA-UHFFFAOYSA-N
MW307.36 g/mol
LogP1.98
Rot. Bonds3

About (1-methylpyrrol-2-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone

(1-methylpyrrol-2-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone (PubChem CID 75473419) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is (1-methylpyrrol-2-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrrol-2-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone
PubChem CID75473419
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name(1-methylpyrrol-2-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone
SMILESCn1cccc1C(=O)N1CC(n2cc(-c3ccccc3)nn2)C1
InChIInChI=1S/C17H17N5O/c1-20-9-5-8-16(20)17(23)21-10-14(11-21)22-12-15(18-19-22)13-6-3-2-4-7-13/h2-9,12,14H,10-11H2,1H3
InChIKeyNLELKRXNUGEZQA-UHFFFAOYSA-N
XLogP1.98
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-methyl-5-[3-(4-phenyltriazol-1-yl)azetidine-1-carbonyl]pyrrol-3-yl]ethanone
CID 75473404
[3-(4-phenyltriazol-1-yl)azetidin-1-yl]-thiophen-3-ylmethanone
CID 86264982
(5-cyclopropyl-1-methylpyrazol-4-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone
CID 75473451
[3-(4-phenyltriazol-1-yl)azetidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 75473408
(2-methylsulfanyl-3-pyridinyl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone
CID 91624921
1-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]-2-propan-2-ylsulfonylethanone
CID 75473418
(1-methylpiperidin-4-yl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150009
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(4-phenyltriazol-1-yl)azetidine-1-carboxamide
CID 86771410
N-[2-oxo-2-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]ethyl]benzamide
CID 75473398
(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone
CID 75473439
N-ethyl-4-oxo-4-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]butanamide
CID 146131664
(1-methylsulfonylpiperidin-4-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone
CID 91624928

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrrol-2-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone?
The IUPAC name of (1-methylpyrrol-2-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone (CID 75473419) is (1-methylpyrrol-2-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone.
What is the SMILES notation for (1-methylpyrrol-2-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone?
The canonical SMILES for (1-methylpyrrol-2-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone is Cn1cccc1C(=O)N1CC(n2cc(-c3ccccc3)nn2)C1.
What is the InChIKey of (1-methylpyrrol-2-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone?
The InChIKey is NLELKRXNUGEZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-20-9-5-8-16(20)17(23)21-10-14(11-21)22-12-15(18-19-22)13-6-3-2-4-7-13/h2-9,12,14H,10-11H2,1H3.
What are the key properties of (1-methylpyrrol-2-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone?
(1-methylpyrrol-2-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone has a molecular weight of 307.36 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrrol-2-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone is sourced from PubChem (CID 75473419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).