quinolin-4-yl-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone

C17H18N6O — CID 146093141

IUPACquinolin-4-yl-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccnc2ccccc12)N1CCN(Cc2ncn[nH]2)CC1
InChIInChI=1S/C17H18N6O/c24-17(14-5-6-18-15-4-2-1-3-13(14)15)23-9-7-22(8-10-23)11-16-19-12-20-21-16/h1-6,12H,7-11H2,(H,19,20,21)
InChIKeyKRWWOLCABSYPLM-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.31
Rot. Bonds3

About quinolin-4-yl-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone

quinolin-4-yl-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone (PubChem CID 146093141) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is quinolin-4-yl-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namequinolin-4-yl-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone
PubChem CID146093141
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Namequinolin-4-yl-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccnc2ccccc12)N1CCN(Cc2ncn[nH]2)CC1
InChIInChI=1S/C17H18N6O/c24-17(14-5-6-18-15-4-2-1-3-13(14)15)23-9-7-22(8-10-23)11-16-19-12-20-21-16/h1-6,12H,7-11H2,(H,19,20,21)
InChIKeyKRWWOLCABSYPLM-UHFFFAOYSA-N
XLogP1.31
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 77085773
(1-methylindazol-3-yl)-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone
CID 90653710
ethyl 4-(quinoline-4-carbonyl)piperazine-1-carboxylate
CID 110694883
quinolin-4-yl-[4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-yl]methanone
CID 78829355
(3-ethyl-1H-indol-2-yl)-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone
CID 119059382
[4-(2-fluorophenyl)piperazin-1-yl]-quinolin-4-ylmethanone
CID 110694885
1H-indol-6-yl-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone
CID 86284048
[4-(2-phenoxyethyl)piperazin-1-yl]-quinolin-5-ylmethanone
CID 17455550
4-(quinoline-4-carbonyl)-1,4-diazepan-2-one
CID 78918249
quinolin-5-yl-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone
CID 37358886
2-[3-[4-(quinoline-4-carbonyl)piperazin-1-yl]phenyl]acetic acid
CID 22399354
[4-[2-[(2-methyl-1H-indol-5-yl)oxy]ethyl]piperazin-1-yl]-quinolin-4-ylmethanone
CID 90683529

Frequently Asked Questions

What is the IUPAC name of quinolin-4-yl-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of quinolin-4-yl-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone (CID 146093141) is quinolin-4-yl-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for quinolin-4-yl-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for quinolin-4-yl-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone is O=C(c1ccnc2ccccc12)N1CCN(Cc2ncn[nH]2)CC1.
What is the InChIKey of quinolin-4-yl-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is KRWWOLCABSYPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c24-17(14-5-6-18-15-4-2-1-3-13(14)15)23-9-7-22(8-10-23)11-16-19-12-20-21-16/h1-6,12H,7-11H2,(H,19,20,21).
What are the key properties of quinolin-4-yl-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone?
quinolin-4-yl-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 322.37 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-4-yl-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 146093141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).