(3-propyltriazol-4-yl)-pyrrolidin-3-ylmethanone

C10H16N4O — CID 114691988

IUPAC(3-propyltriazol-4-yl)-pyrrolidin-3-ylmethanone
SMILESCCCn1nncc1C(=O)C1CCNC1
InChIInChI=1S/C10H16N4O/c1-2-5-14-9(7-12-13-14)10(15)8-3-4-11-6-8/h7-8,11H,2-6H2,1H3
InChIKeyIAHULNIUWKLMFZ-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.48
Rot. Bonds4

About (3-propyltriazol-4-yl)-pyrrolidin-3-ylmethanone

(3-propyltriazol-4-yl)-pyrrolidin-3-ylmethanone (PubChem CID 114691988) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is (3-propyltriazol-4-yl)-pyrrolidin-3-ylmethanone.

Molecular Properties

Compound Name(3-propyltriazol-4-yl)-pyrrolidin-3-ylmethanone
PubChem CID114691988
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name(3-propyltriazol-4-yl)-pyrrolidin-3-ylmethanone
SMILESCCCn1nncc1C(=O)C1CCNC1
InChIInChI=1S/C10H16N4O/c1-2-5-14-9(7-12-13-14)10(15)8-3-4-11-6-8/h7-8,11H,2-6H2,1H3
InChIKeyIAHULNIUWKLMFZ-UHFFFAOYSA-N
XLogP0.48
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
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

(4-methylpiperidin-4-yl)-(3-propyltriazol-4-yl)methanone
CID 114691980
(2-methylpyrazol-3-yl)-pyrrolidin-3-ylmethanone
CID 116568222
1-(3-ethyltriazol-4-yl)-2-piperidin-4-ylethanone
CID 84735384
azetidin-3-yl-(2-propylpyrazol-3-yl)methanone
CID 116583695
2-ethyl-1-(3-propyltriazol-4-yl)butan-1-one
CID 115802313
3-amino-3-methyl-1-(3-propyltriazol-4-yl)butan-1-one
CID 114692097
cyclopenten-1-yl-(3-propyltriazol-4-yl)methanone
CID 103448123
(3-propan-2-ylimidazol-4-yl)-pyrrolidin-3-ylmethanone
CID 84734169
(4-propylmorpholin-2-yl)-(3-propyltriazol-4-yl)methanone
CID 114686036
1-(3-propyltriazol-4-yl)piperazine-2-carboxylic acid
CID 114222990
(2-methyltriazol-4-yl)-pyrrolidin-3-ylmethanone
CID 130603381
(4-tert-butylcyclohexyl)-(3-ethyltriazol-4-yl)methanone
CID 114213063

Frequently Asked Questions

What is the IUPAC name of (3-propyltriazol-4-yl)-pyrrolidin-3-ylmethanone?
The IUPAC name of (3-propyltriazol-4-yl)-pyrrolidin-3-ylmethanone (CID 114691988) is (3-propyltriazol-4-yl)-pyrrolidin-3-ylmethanone.
What is the SMILES notation for (3-propyltriazol-4-yl)-pyrrolidin-3-ylmethanone?
The canonical SMILES for (3-propyltriazol-4-yl)-pyrrolidin-3-ylmethanone is CCCn1nncc1C(=O)C1CCNC1.
What is the InChIKey of (3-propyltriazol-4-yl)-pyrrolidin-3-ylmethanone?
The InChIKey is IAHULNIUWKLMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-2-5-14-9(7-12-13-14)10(15)8-3-4-11-6-8/h7-8,11H,2-6H2,1H3.
What are the key properties of (3-propyltriazol-4-yl)-pyrrolidin-3-ylmethanone?
(3-propyltriazol-4-yl)-pyrrolidin-3-ylmethanone has a molecular weight of 208.26 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propyltriazol-4-yl)-pyrrolidin-3-ylmethanone is sourced from PubChem (CID 114691988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).