(5-tert-butyl-2H-triazol-4-yl)-piperazin-1-ylmethanone

C11H19N5O — CID 82510921

IUPAC(5-tert-butyl-2H-triazol-4-yl)-piperazin-1-ylmethanone
SMILESCC(C)(C)c1n[nH]nc1C(=O)N1CCNCC1
InChIInChI=1S/C11H19N5O/c1-11(2,3)9-8(13-15-14-9)10(17)16-6-4-12-5-7-16/h12H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyVFADZCQTUYMNSN-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.15
Rot. Bonds1

About (5-tert-butyl-2H-triazol-4-yl)-piperazin-1-ylmethanone

(5-tert-butyl-2H-triazol-4-yl)-piperazin-1-ylmethanone (PubChem CID 82510921) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is (5-tert-butyl-2H-triazol-4-yl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(5-tert-butyl-2H-triazol-4-yl)-piperazin-1-ylmethanone
PubChem CID82510921
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name(5-tert-butyl-2H-triazol-4-yl)-piperazin-1-ylmethanone
SMILESCC(C)(C)c1n[nH]nc1C(=O)N1CCNCC1
InChIInChI=1S/C11H19N5O/c1-11(2,3)9-8(13-15-14-9)10(17)16-6-4-12-5-7-16/h12H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyVFADZCQTUYMNSN-UHFFFAOYSA-N
XLogP0.15
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

piperazin-1-yl-(5-propan-2-yl-2H-triazol-4-yl)methanone
CID 82509572
(5-bromo-4-methyl-1H-pyrazol-3-yl)-piperazin-1-ylmethanone
CID 83904063
(1-ethyl-5-methyltriazol-4-yl)-piperazin-1-ylmethanone
CID 82509564
(5-tert-butyl-1,3-oxazol-2-yl)-piperazin-1-ylmethanone
CID 110833104
(3,5-ditert-butyl-4-hydroxyphenyl)-piperazin-1-ylmethanone
CID 14300314
(5-methyl-1,3-oxazol-4-yl)-piperazin-1-ylmethanone;hydrochloride
CID 130978963
[1-(4-tert-butylphenyl)-5-propyltriazol-4-yl]-piperazin-1-ylmethanone;hydrochloride
CID 119400420
(4-chloro-5-ethyl-1-methylpyrazol-3-yl)-piperazin-1-ylmethanone
CID 82512006
piperazin-1-yl-(5-propyl-1,3-oxazol-4-yl)methanone
CID 82509550
(4-chloro-1,5-dimethylpyrazol-3-yl)-piperazin-1-ylmethanone
CID 82511609
6-tert-butyl-2-ethyl-4-(piperazine-1-carbonyl)pyridazin-3-one
CID 82443575
6-methyl-4-(piperazine-1-carbonyl)-1H-pyrimidin-2-one
CID 82509419

Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-2H-triazol-4-yl)-piperazin-1-ylmethanone?
The IUPAC name of (5-tert-butyl-2H-triazol-4-yl)-piperazin-1-ylmethanone (CID 82510921) is (5-tert-butyl-2H-triazol-4-yl)-piperazin-1-ylmethanone.
What is the SMILES notation for (5-tert-butyl-2H-triazol-4-yl)-piperazin-1-ylmethanone?
The canonical SMILES for (5-tert-butyl-2H-triazol-4-yl)-piperazin-1-ylmethanone is CC(C)(C)c1n[nH]nc1C(=O)N1CCNCC1.
What is the InChIKey of (5-tert-butyl-2H-triazol-4-yl)-piperazin-1-ylmethanone?
The InChIKey is VFADZCQTUYMNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-11(2,3)9-8(13-15-14-9)10(17)16-6-4-12-5-7-16/h12H,4-7H2,1-3H3,(H,13,14,15).
What are the key properties of (5-tert-butyl-2H-triazol-4-yl)-piperazin-1-ylmethanone?
(5-tert-butyl-2H-triazol-4-yl)-piperazin-1-ylmethanone has a molecular weight of 237.31 g/mol, XLogP of 0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-2H-triazol-4-yl)-piperazin-1-ylmethanone is sourced from PubChem (CID 82510921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).