(4-ethylpiperazin-1-yl)-(2-methyltriazol-4-yl)methanone

C10H17N5O — CID 110691366

IUPAC(4-ethylpiperazin-1-yl)-(2-methyltriazol-4-yl)methanone
SMILESCCN1CCN(C(=O)c2cnn(C)n2)CC1
InChIInChI=1S/C10H17N5O/c1-3-14-4-6-15(7-5-14)10(16)9-8-11-13(2)12-9/h8H,3-7H2,1-2H3
InChIKeyBAFMCZLWNIIQCY-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.41
Rot. Bonds2

About (4-ethylpiperazin-1-yl)-(2-methyltriazol-4-yl)methanone

(4-ethylpiperazin-1-yl)-(2-methyltriazol-4-yl)methanone (PubChem CID 110691366) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-(2-methyltriazol-4-yl)methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-(2-methyltriazol-4-yl)methanone
PubChem CID110691366
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name(4-ethylpiperazin-1-yl)-(2-methyltriazol-4-yl)methanone
SMILESCCN1CCN(C(=O)c2cnn(C)n2)CC1
InChIInChI=1S/C10H17N5O/c1-3-14-4-6-15(7-5-14)10(16)9-8-11-13(2)12-9/h8H,3-7H2,1-2H3
InChIKeyBAFMCZLWNIIQCY-UHFFFAOYSA-N
XLogP-0.41
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methylpiperidin-1-yl)-(2-methyltriazol-4-yl)methanone
CID 110691356
[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109084137
(4-ethylpiperazin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
CID 53017422
(6-bromo-5-fluoro-2-pyridinyl)-(4-ethylpiperazin-1-yl)methanone
CID 167714000
[5-(aminomethyl)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 63722502
4-(4-ethylpiperazine-1-carbonyl)-1-methylpyrazole-3-carboxylic acid
CID 19624067
(4-ethylpiperazin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone
CID 109270974
(4-ethylpiperazin-1-yl)-(3-phenylimidazol-4-yl)methanone
CID 78797284
(4-ethylpiperazin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)methanone
CID 166351541
6-(4-ethylpiperazine-1-carbonyl)-2-methylpyridine-3-carboxylic acid
CID 43453206
[5-(cyclopentylamino)pyrazin-2-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109274083
(4-ethylpiperazin-1-yl)-(1-methylbenzimidazol-5-yl)methanone
CID 110692570

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-(2-methyltriazol-4-yl)methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-(2-methyltriazol-4-yl)methanone (CID 110691366) is (4-ethylpiperazin-1-yl)-(2-methyltriazol-4-yl)methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-(2-methyltriazol-4-yl)methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-(2-methyltriazol-4-yl)methanone is CCN1CCN(C(=O)c2cnn(C)n2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-(2-methyltriazol-4-yl)methanone?
The InChIKey is BAFMCZLWNIIQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-3-14-4-6-15(7-5-14)10(16)9-8-11-13(2)12-9/h8H,3-7H2,1-2H3.
What are the key properties of (4-ethylpiperazin-1-yl)-(2-methyltriazol-4-yl)methanone?
(4-ethylpiperazin-1-yl)-(2-methyltriazol-4-yl)methanone has a molecular weight of 223.28 g/mol, XLogP of -0.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-(2-methyltriazol-4-yl)methanone is sourced from PubChem (CID 110691366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).