[(3S)-3-methylpiperidin-1-yl]-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methanone

C11H15N7O — CID 7438061

IUPAC[(3S)-3-methylpiperidin-1-yl]-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methanone
SMILESC[C@H]1CCCN(C(=O)c2nc(-n3cnnc3)n[nH]2)C1
InChIInChI=1S/C11H15N7O/c1-8-3-2-4-17(5-8)10(19)9-14-11(16-15-9)18-6-12-13-7-18/h6-8H,2-5H2,1H3,(H,14,15,16)/t8-/m0/s1
InChIKeyFCIZKBAECIDXHW-QMMMGPOBSA-N
MW261.29 g/mol
LogP0.26
Rot. Bonds2

About [(3S)-3-methylpiperidin-1-yl]-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methanone

[(3S)-3-methylpiperidin-1-yl]-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methanone (PubChem CID 7438061) has the molecular formula C11H15N7O and a molecular weight of 261.29 g/mol. Its IUPAC name is [(3S)-3-methylpiperidin-1-yl]-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methanone.

Molecular Properties

Compound Name[(3S)-3-methylpiperidin-1-yl]-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methanone
PubChem CID7438061
Molecular FormulaC11H15N7O
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name[(3S)-3-methylpiperidin-1-yl]-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methanone
SMILESC[C@H]1CCCN(C(=O)c2nc(-n3cnnc3)n[nH]2)C1
InChIInChI=1S/C11H15N7O/c1-8-3-2-4-17(5-8)10(19)9-14-11(16-15-9)18-6-12-13-7-18/h6-8H,2-5H2,1H3,(H,14,15,16)/t8-/m0/s1
InChIKeyFCIZKBAECIDXHW-QMMMGPOBSA-N
XLogP0.26
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(3S)-3-methylpiperidin-1-yl]-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methanone with MolForge

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Related Compounds

(4-cyclopropyl-2-methylpiperazin-1-yl)-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methanone
CID 162634628
[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methanone
CID 155919355
[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methanone
CID 157020052
[5-bromo-6-(1,2,4-triazol-4-yl)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 91952980
[(3S,3aS,6aS)-3-(4-methoxyphenyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methanone;hydrochloride
CID 171711886
(5-tert-butyl-1H-pyrazol-3-yl)-(3-methylpiperidin-1-yl)methanone
CID 110856017
(4-bromo-1H-pyrazol-5-yl)-(3-methylpiperidin-1-yl)methanone
CID 56725958
[1-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 92518956
(4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113489
[(3R)-3-methylpiperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 27258020
[6-(3-methylpiperidine-1-carbonyl)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109095169
(2,4-dimethyl-1,3-thiazol-5-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 95274470

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-methylpiperidin-1-yl]-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methanone?
The IUPAC name of [(3S)-3-methylpiperidin-1-yl]-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methanone (CID 7438061) is [(3S)-3-methylpiperidin-1-yl]-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methanone.
What is the SMILES notation for [(3S)-3-methylpiperidin-1-yl]-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methanone?
The canonical SMILES for [(3S)-3-methylpiperidin-1-yl]-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methanone is C[C@H]1CCCN(C(=O)c2nc(-n3cnnc3)n[nH]2)C1.
What is the InChIKey of [(3S)-3-methylpiperidin-1-yl]-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methanone?
The InChIKey is FCIZKBAECIDXHW-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15N7O/c1-8-3-2-4-17(5-8)10(19)9-14-11(16-15-9)18-6-12-13-7-18/h6-8H,2-5H2,1H3,(H,14,15,16)/t8-/m0/s1.
What are the key properties of [(3S)-3-methylpiperidin-1-yl]-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methanone?
[(3S)-3-methylpiperidin-1-yl]-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methanone has a molecular weight of 261.29 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-methylpiperidin-1-yl]-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methanone is sourced from PubChem (CID 7438061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).