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

C15H23N7O — CID 164639269

IUPAC(2-ethyltriazol-4-yl)-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
SMILESCCn1ncc(C(=O)N2CCCC[C@H]2c2nc(C(C)C)n[nH]2)n1
InChIInChI=1S/C15H23N7O/c1-4-22-16-9-11(20-22)15(23)21-8-6-5-7-12(21)14-17-13(10(2)3)18-19-14/h9-10,12H,4-8H2,1-3H3,(H,17,18,19)/t12-/m0/s1
InChIKeyXTRUQHGUDIOJCZ-LBPRGKRZSA-N
MW317.40 g/mol
LogP1.91
Rot. Bonds4

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

(2-ethyltriazol-4-yl)-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone (PubChem CID 164639269) has the molecular formula C15H23N7O and a molecular weight of 317.40 g/mol. Its IUPAC name is (2-ethyltriazol-4-yl)-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethyltriazol-4-yl)-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
PubChem CID164639269
Molecular FormulaC15H23N7O
Molecular Weight317.40 g/mol
Exact Mass317.20
IUPAC Name(2-ethyltriazol-4-yl)-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
SMILESCCn1ncc(C(=O)N2CCCC[C@H]2c2nc(C(C)C)n[nH]2)n1
InChIInChI=1S/C15H23N7O/c1-4-22-16-9-11(20-22)15(23)21-8-6-5-7-12(21)14-17-13(10(2)3)18-19-14/h9-10,12H,4-8H2,1-3H3,(H,17,18,19)/t12-/m0/s1
InChIKeyXTRUQHGUDIOJCZ-LBPRGKRZSA-N
XLogP1.91
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

1-(2-cyclohexylethyl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1H-1,2,3-triazole-4-carboxamide
CID 56904759
[3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(2-propan-2-yl-1H-imidazol-5-yl)methanone
CID 72127418
(2-propan-2-yl-1H-imidazol-5-yl)-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 72128796
[3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(1H-imidazol-5-yl)methanone
CID 72141944
(3S,4S)-N-methyl-1-[(5-methyl-2-pyrazinyl)carbonyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrole-3-carboxamide
CID 91911181
N-[1-(1-ethyl-1H-1,2,4-triazol-5-yl)ethyl]-1-(2-piperazin-1-ylethyl)-1H-1,2,3-triazole-4-carboxamide
CID 70706289
1-(cis-4-aminocyclohexyl)-N-[1-(1-methyl-1H-1,2,4-triazol-5-yl)ethyl]-1H-1,2,3-triazole-4-carboxamide
CID 70709218
N-[(5-amino-1H-1,2,4-triazol-3-yl)methyl]-1-(2-piperidin-2-ylethyl)-1H-1,2,3-triazole-4-carboxamide
CID 70719235
N-[2-(1-methyl-1H-1,2,4-triazol-5-yl)ethyl]-1-(2-piperidin-2-ylethyl)-1H-1,2,3-triazole-4-carboxamide
CID 70724937
[(2S)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]-(2-ethyltriazol-4-yl)methanone
CID 164635271
[(3S,4S)-3-(3-Cyclopropyl-1H-1,2,4-triazol-5-YL)-4-(fluoromethyl)tetrahydro-1H-pyrrol-1-YL](2-pyrazinyl)methanone
CID 137903845
3-[1-(1H-1,2,3-triazol-5-ylcarbonyl)piperidin-4-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 124215383

Frequently Asked Questions

What is the IUPAC name of (2-ethyltriazol-4-yl)-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-ethyltriazol-4-yl)-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone (CID 164639269) is (2-ethyltriazol-4-yl)-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-ethyltriazol-4-yl)-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-ethyltriazol-4-yl)-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone is CCn1ncc(C(=O)N2CCCC[C@H]2c2nc(C(C)C)n[nH]2)n1.
What is the InChIKey of (2-ethyltriazol-4-yl)-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is XTRUQHGUDIOJCZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23N7O/c1-4-22-16-9-11(20-22)15(23)21-8-6-5-7-12(21)14-17-13(10(2)3)18-19-14/h9-10,12H,4-8H2,1-3H3,(H,17,18,19)/t12-/m0/s1.
What are the key properties of (2-ethyltriazol-4-yl)-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
(2-ethyltriazol-4-yl)-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 317.40 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyltriazol-4-yl)-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 164639269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).