piperazin-1-yl-(5-propan-2-yl-2H-triazol-4-yl)methanone

C10H17N5O — CID 82509572

IUPACpiperazin-1-yl-(5-propan-2-yl-2H-triazol-4-yl)methanone
SMILESCC(C)c1n[nH]nc1C(=O)N1CCNCC1
InChIInChI=1S/C10H17N5O/c1-7(2)8-9(13-14-12-8)10(16)15-5-3-11-4-6-15/h7,11H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyKJTIDHLQTRWKNI-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.03
Rot. Bonds2

About piperazin-1-yl-(5-propan-2-yl-2H-triazol-4-yl)methanone

piperazin-1-yl-(5-propan-2-yl-2H-triazol-4-yl)methanone (PubChem CID 82509572) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is piperazin-1-yl-(5-propan-2-yl-2H-triazol-4-yl)methanone.

Molecular Properties

Compound Namepiperazin-1-yl-(5-propan-2-yl-2H-triazol-4-yl)methanone
PubChem CID82509572
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Namepiperazin-1-yl-(5-propan-2-yl-2H-triazol-4-yl)methanone
SMILESCC(C)c1n[nH]nc1C(=O)N1CCNCC1
InChIInChI=1S/C10H17N5O/c1-7(2)8-9(13-14-12-8)10(16)15-5-3-11-4-6-15/h7,11H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyKJTIDHLQTRWKNI-UHFFFAOYSA-N
XLogP-0.03
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5-tert-butyl-2H-triazol-4-yl)-piperazin-1-ylmethanone
CID 82510921
piperazin-1-yl-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 82509447
(5-bromo-4-methyl-1H-pyrazol-3-yl)-piperazin-1-ylmethanone
CID 83904063
(1-ethyl-5-methyltriazol-4-yl)-piperazin-1-ylmethanone
CID 82509564
piperazin-1-yl-(4-propan-2-yl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanone
CID 82435601
piperazin-1-yl-(2-propan-2-ylphenyl)methanone
CID 82510229
(1-methyl-5-propan-2-ylpyrazol-4-yl)-piperazin-1-ylmethanone
CID 82510734
(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)-piperazin-1-ylmethanone;hydrochloride
CID 119402426
(5-methyl-1,3-oxazol-4-yl)-piperazin-1-ylmethanone;hydrochloride
CID 130978963
piperazin-1-yl-(5-propyl-1,3-oxazol-4-yl)methanone
CID 82509550
(4-chloro-5-ethyl-1-methylpyrazol-3-yl)-piperazin-1-ylmethanone
CID 82512006
(4-chloro-1,5-dimethylpyrazol-3-yl)-piperazin-1-ylmethanone
CID 82511609

Frequently Asked Questions

What is the IUPAC name of piperazin-1-yl-(5-propan-2-yl-2H-triazol-4-yl)methanone?
The IUPAC name of piperazin-1-yl-(5-propan-2-yl-2H-triazol-4-yl)methanone (CID 82509572) is piperazin-1-yl-(5-propan-2-yl-2H-triazol-4-yl)methanone.
What is the SMILES notation for piperazin-1-yl-(5-propan-2-yl-2H-triazol-4-yl)methanone?
The canonical SMILES for piperazin-1-yl-(5-propan-2-yl-2H-triazol-4-yl)methanone is CC(C)c1n[nH]nc1C(=O)N1CCNCC1.
What is the InChIKey of piperazin-1-yl-(5-propan-2-yl-2H-triazol-4-yl)methanone?
The InChIKey is KJTIDHLQTRWKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-7(2)8-9(13-14-12-8)10(16)15-5-3-11-4-6-15/h7,11H,3-6H2,1-2H3,(H,12,13,14).
What are the key properties of piperazin-1-yl-(5-propan-2-yl-2H-triazol-4-yl)methanone?
piperazin-1-yl-(5-propan-2-yl-2H-triazol-4-yl)methanone has a molecular weight of 223.28 g/mol, XLogP of -0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-yl-(5-propan-2-yl-2H-triazol-4-yl)methanone is sourced from PubChem (CID 82509572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).