(1-ethyl-5-methyltriazol-4-yl)-piperazin-1-ylmethanone

C10H17N5O — CID 82509564

IUPAC(1-ethyl-5-methyltriazol-4-yl)-piperazin-1-ylmethanone
SMILESCCn1nnc(C(=O)N2CCNCC2)c1C
InChIInChI=1S/C10H17N5O/c1-3-15-8(2)9(12-13-15)10(16)14-6-4-11-5-7-14/h11H,3-7H2,1-2H3
InChIKeyOGKVITXXMUZKLZ-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.35
Rot. Bonds2

About (1-ethyl-5-methyltriazol-4-yl)-piperazin-1-ylmethanone

(1-ethyl-5-methyltriazol-4-yl)-piperazin-1-ylmethanone (PubChem CID 82509564) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is (1-ethyl-5-methyltriazol-4-yl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(1-ethyl-5-methyltriazol-4-yl)-piperazin-1-ylmethanone
PubChem CID82509564
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name(1-ethyl-5-methyltriazol-4-yl)-piperazin-1-ylmethanone
SMILESCCn1nnc(C(=O)N2CCNCC2)c1C
InChIInChI=1S/C10H17N5O/c1-3-15-8(2)9(12-13-15)10(16)14-6-4-11-5-7-14/h11H,3-7H2,1-2H3
InChIKeyOGKVITXXMUZKLZ-UHFFFAOYSA-N
XLogP-0.35
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-ethylazepan-1-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone
CID 119794876
(4-chloro-1,5-dimethylpyrazol-3-yl)-piperazin-1-ylmethanone
CID 82511609
[4-(5-methyl-1-piperidin-4-yltriazole-4-carbonyl)piperazin-1-yl]-phenylmethanone
CID 119683408
(4,4-dimethylazepan-1-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone
CID 119803692
(1-ethyl-3-methylpyrazol-4-yl)-piperazin-1-ylmethanone
CID 82509456
(5-bromo-4-methyl-1H-pyrazol-3-yl)-piperazin-1-ylmethanone
CID 83904063
(5-methyl-1,3-oxazol-4-yl)-piperazin-1-ylmethanone;hydrochloride
CID 130978963
piperazin-1-yl-(5-propan-2-yl-2H-triazol-4-yl)methanone
CID 82509572
(5-tert-butyl-2H-triazol-4-yl)-piperazin-1-ylmethanone
CID 82510921
(4-benzylpiperidin-1-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride
CID 119671865
1,4-diazepan-1-yl-[1-[4-(difluoromethoxy)phenyl]-5-methyltriazol-4-yl]methanone
CID 119417545
(4-chloro-5-ethyl-1-methylpyrazol-3-yl)-piperazin-1-ylmethanone
CID 82512006

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-5-methyltriazol-4-yl)-piperazin-1-ylmethanone?
The IUPAC name of (1-ethyl-5-methyltriazol-4-yl)-piperazin-1-ylmethanone (CID 82509564) is (1-ethyl-5-methyltriazol-4-yl)-piperazin-1-ylmethanone.
What is the SMILES notation for (1-ethyl-5-methyltriazol-4-yl)-piperazin-1-ylmethanone?
The canonical SMILES for (1-ethyl-5-methyltriazol-4-yl)-piperazin-1-ylmethanone is CCn1nnc(C(=O)N2CCNCC2)c1C.
What is the InChIKey of (1-ethyl-5-methyltriazol-4-yl)-piperazin-1-ylmethanone?
The InChIKey is OGKVITXXMUZKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-3-15-8(2)9(12-13-15)10(16)14-6-4-11-5-7-14/h11H,3-7H2,1-2H3.
What are the key properties of (1-ethyl-5-methyltriazol-4-yl)-piperazin-1-ylmethanone?
(1-ethyl-5-methyltriazol-4-yl)-piperazin-1-ylmethanone has a molecular weight of 223.28 g/mol, XLogP of -0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-5-methyltriazol-4-yl)-piperazin-1-ylmethanone is sourced from PubChem (CID 82509564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).