(3-ethyltriazol-4-yl)-(2-methylpyrrolidin-3-yl)methanone

C10H16N4O — CID 130484446

IUPAC(3-ethyltriazol-4-yl)-(2-methylpyrrolidin-3-yl)methanone
SMILESCCn1nncc1C(=O)C1CCNC1C
InChIInChI=1S/C10H16N4O/c1-3-14-9(6-12-13-14)10(15)8-4-5-11-7(8)2/h6-8,11H,3-5H2,1-2H3
InChIKeyPMOLRYYRLGQZIK-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.48
Rot. Bonds3

About (3-ethyltriazol-4-yl)-(2-methylpyrrolidin-3-yl)methanone

(3-ethyltriazol-4-yl)-(2-methylpyrrolidin-3-yl)methanone (PubChem CID 130484446) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is (3-ethyltriazol-4-yl)-(2-methylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name(3-ethyltriazol-4-yl)-(2-methylpyrrolidin-3-yl)methanone
PubChem CID130484446
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name(3-ethyltriazol-4-yl)-(2-methylpyrrolidin-3-yl)methanone
SMILESCCn1nncc1C(=O)C1CCNC1C
InChIInChI=1S/C10H16N4O/c1-3-14-9(6-12-13-14)10(15)8-4-5-11-7(8)2/h6-8,11H,3-5H2,1-2H3
InChIKeyPMOLRYYRLGQZIK-UHFFFAOYSA-N
XLogP0.48
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-ethyltriazol-4-yl)-2-piperidin-4-ylethanone
CID 84735384
(4-tert-butylcyclohexyl)-(3-ethyltriazol-4-yl)methanone
CID 114213063
(4-methylcyclohexyl)-(3-propyltriazol-4-yl)methanone
CID 114685710
1,4-dithian-2-yl-(3-ethyltriazol-4-yl)methanone
CID 130484221
(3-propyltriazol-4-yl)-pyrrolidin-3-ylmethanone
CID 114691988
1-(3-ethyltriazol-4-yl)-2,2-dimethylpropan-1-one
CID 126974247
(4-bromo-1-methylpyrazol-5-yl)-(2-methylpyrrolidin-3-yl)methanone
CID 114670272
2-(3-ethyltriazol-4-yl)-4-methylpiperidine
CID 130484363
(E)-1-(3-ethyltriazol-4-yl)but-2-en-1-one
CID 130484243
4-(3-ethyltriazol-4-yl)-4-oxobutanoic acid
CID 84733430
(2R,3R)-2-methylpyrrolidine-3-carboxylic acid
CID 10887930
(2,5-dichlorophenyl)-(2-methylpyrrolidin-3-yl)methanone
CID 116592107

Frequently Asked Questions

What is the IUPAC name of (3-ethyltriazol-4-yl)-(2-methylpyrrolidin-3-yl)methanone?
The IUPAC name of (3-ethyltriazol-4-yl)-(2-methylpyrrolidin-3-yl)methanone (CID 130484446) is (3-ethyltriazol-4-yl)-(2-methylpyrrolidin-3-yl)methanone.
What is the SMILES notation for (3-ethyltriazol-4-yl)-(2-methylpyrrolidin-3-yl)methanone?
The canonical SMILES for (3-ethyltriazol-4-yl)-(2-methylpyrrolidin-3-yl)methanone is CCn1nncc1C(=O)C1CCNC1C.
What is the InChIKey of (3-ethyltriazol-4-yl)-(2-methylpyrrolidin-3-yl)methanone?
The InChIKey is PMOLRYYRLGQZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-3-14-9(6-12-13-14)10(15)8-4-5-11-7(8)2/h6-8,11H,3-5H2,1-2H3.
What are the key properties of (3-ethyltriazol-4-yl)-(2-methylpyrrolidin-3-yl)methanone?
(3-ethyltriazol-4-yl)-(2-methylpyrrolidin-3-yl)methanone has a molecular weight of 208.26 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyltriazol-4-yl)-(2-methylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 130484446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).