1H-indazol-7-yl-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone

C15H16N6O — CID 84596747

IUPAC1H-indazol-7-yl-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(c1cccc2cn[nH]c12)N1CCCCC1c1ncn[nH]1
InChIInChI=1S/C15H16N6O/c22-15(11-5-3-4-10-8-17-19-13(10)11)21-7-2-1-6-12(21)14-16-9-18-20-14/h3-5,8-9,12H,1-2,6-7H2,(H,17,19)(H,16,18,20)
InChIKeySMDGLAYZTAQMLC-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.05
Rot. Bonds2

About 1H-indazol-7-yl-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone

1H-indazol-7-yl-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone (PubChem CID 84596747) has the molecular formula C15H16N6O and a molecular weight of 296.33 g/mol. Its IUPAC name is 1H-indazol-7-yl-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1H-indazol-7-yl-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
PubChem CID84596747
Molecular FormulaC15H16N6O
Molecular Weight296.33 g/mol
Exact Mass296.14
IUPAC Name1H-indazol-7-yl-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(c1cccc2cn[nH]c12)N1CCCCC1c1ncn[nH]1
InChIInChI=1S/C15H16N6O/c22-15(11-5-3-4-10-8-17-19-13(10)11)21-7-2-1-6-12(21)14-16-9-18-20-14/h3-5,8-9,12H,1-2,6-7H2,(H,17,19)(H,16,18,20)
InChIKeySMDGLAYZTAQMLC-UHFFFAOYSA-N
XLogP2.05
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1H-indazol-7-yl-(2-pyridin-4-ylazepan-1-yl)methanone
CID 87045422
(3-chloro-2-fluorophenyl)-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 129398214
quinoxalin-5-yl-[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 129487916
1H-indol-4-yl-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 75446127
[2-(aminomethyl)piperidin-1-yl]-(1H-indazol-7-yl)methanone
CID 119468138
(3-fluoro-4-pyridinyl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 128993661
[2-(hydroxymethyl)pyrrolidin-1-yl]-(1H-indazol-7-yl)methanone
CID 91661580
1H-pyrrol-2-yl-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 97332578
(2,2,3,3-tetramethylcyclopropyl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 128991556
1-[4-[2-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]phenyl]ethanone
CID 84594447
[3-(hydroxymethyl)phenyl]-[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 129351286
3-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]benzonitrile
CID 129397847

Frequently Asked Questions

What is the IUPAC name of 1H-indazol-7-yl-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of 1H-indazol-7-yl-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone (CID 84596747) is 1H-indazol-7-yl-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for 1H-indazol-7-yl-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for 1H-indazol-7-yl-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone is O=C(c1cccc2cn[nH]c12)N1CCCCC1c1ncn[nH]1.
What is the InChIKey of 1H-indazol-7-yl-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is SMDGLAYZTAQMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O/c22-15(11-5-3-4-10-8-17-19-13(10)11)21-7-2-1-6-12(21)14-16-9-18-20-14/h3-5,8-9,12H,1-2,6-7H2,(H,17,19)(H,16,18,20).
What are the key properties of 1H-indazol-7-yl-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
1H-indazol-7-yl-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 296.33 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-7-yl-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 84596747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).