[4-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-phenylmethanone

C17H16ClN5O — CID 53203708

IUPAC[4-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(c2nnc3c(Cl)cccn23)CC1
InChIInChI=1S/C17H16ClN5O/c18-14-7-4-8-23-15(14)19-20-17(23)22-11-9-21(10-12-22)16(24)13-5-2-1-3-6-13/h1-8H,9-12H2
InChIKeyKHKVOYGAHKFQJN-UHFFFAOYSA-N
MW341.80 g/mol
LogP2.35
Rot. Bonds2

About [4-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-phenylmethanone

[4-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-phenylmethanone (PubChem CID 53203708) has the molecular formula C17H16ClN5O and a molecular weight of 341.80 g/mol. Its IUPAC name is [4-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-phenylmethanone
PubChem CID53203708
Molecular FormulaC17H16ClN5O
Molecular Weight341.80 g/mol
Exact Mass341.10
IUPAC Name[4-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(c2nnc3c(Cl)cccn23)CC1
InChIInChI=1S/C17H16ClN5O/c18-14-7-4-8-23-15(14)19-20-17(23)22-11-9-21(10-12-22)16(24)13-5-2-1-3-6-13/h1-8H,9-12H2
InChIKeyKHKVOYGAHKFQJN-UHFFFAOYSA-N
XLogP2.35
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 53203694
[4-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 53203701
pyridin-3-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]methanone
CID 53203405
[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-phenylmethanone
CID 78771391
phenyl-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121038151
[4-[4-(2-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]-phenylmethanone
CID 46891105
[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-phenylmethanone
CID 42111101
phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 742493
4-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]benzoic acid
CID 2050566
[4-(4-amino-2-chlorophenyl)piperazin-1-yl]-phenylmethanone
CID 805199
[4-[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]-1,4-diazepan-1-yl]-phenylmethanone
CID 133270887
2-(4-benzoylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one
CID 175650790

Frequently Asked Questions

What is the IUPAC name of [4-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-phenylmethanone (CID 53203708) is [4-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCN(c2nnc3c(Cl)cccn23)CC1.
What is the InChIKey of [4-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-phenylmethanone?
The InChIKey is KHKVOYGAHKFQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O/c18-14-7-4-8-23-15(14)19-20-17(23)22-11-9-21(10-12-22)16(24)13-5-2-1-3-6-13/h1-8H,9-12H2.
What are the key properties of [4-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-phenylmethanone?
[4-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-phenylmethanone has a molecular weight of 341.80 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 53203708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).