(S)-[1-[5-(2,5-dimethylfuran-3-yl)-1,2,4-triazin-3-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol

C19H24N6O2 — CID 42511908

IUPAC(S)-[1-[5-(2,5-dimethylfuran-3-yl)-1,2,4-triazin-3-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
SMILESCc1cc(-c2cnnc(N3CCC([C@H](O)c4nccn4C)CC3)n2)c(C)o1
InChIInChI=1S/C19H24N6O2/c1-12-10-15(13(2)27-12)16-11-21-23-19(22-16)25-7-4-14(5-8-25)17(26)18-20-6-9-24(18)3/h6,9-11,14,17,26H,4-5,7-8H2,1-3H3/t17-/m0/s1
InChIKeySHGUPRSLBOUBGP-KRWDZBQOSA-N
MW368.44 g/mol
LogP2.43
Rot. Bonds4

About (S)-[1-[5-(2,5-dimethylfuran-3-yl)-1,2,4-triazin-3-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol

(S)-[1-[5-(2,5-dimethylfuran-3-yl)-1,2,4-triazin-3-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol (PubChem CID 42511908) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is (S)-[1-[5-(2,5-dimethylfuran-3-yl)-1,2,4-triazin-3-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol.

Molecular Properties

Compound Name(S)-[1-[5-(2,5-dimethylfuran-3-yl)-1,2,4-triazin-3-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
PubChem CID42511908
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name(S)-[1-[5-(2,5-dimethylfuran-3-yl)-1,2,4-triazin-3-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
SMILESCc1cc(-c2cnnc(N3CCC([C@H](O)c4nccn4C)CC3)n2)c(C)o1
InChIInChI=1S/C19H24N6O2/c1-12-10-15(13(2)27-12)16-11-21-23-19(22-16)25-7-4-14(5-8-25)17(26)18-20-6-9-24(18)3/h6,9-11,14,17,26H,4-5,7-8H2,1-3H3/t17-/m0/s1
InChIKeySHGUPRSLBOUBGP-KRWDZBQOSA-N
XLogP2.43
TPSA93.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(1-methylimidazol-2-yl)-[1-(4,5,6-trimethylpyrimidin-2-yl)piperidin-4-yl]methanol
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[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanone
CID 97142415
(4-ethylcyclohexyl)-(1-methylimidazol-2-yl)methanol
CID 65393926
[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 133494977
[6-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 134697141
[1-[(3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 171909909
(1-methylimidazol-2-yl)-[1-[2-(3-methylpyrazol-1-yl)ethyl]piperidin-4-yl]methanol
CID 45228146
[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 133395761
(S)-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 97159643
(R)-[1-(2-amino-5-ethyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 97115224
(1-methylimidazol-2-yl)-[1-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol
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Frequently Asked Questions

What is the IUPAC name of (S)-[1-[5-(2,5-dimethylfuran-3-yl)-1,2,4-triazin-3-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
The IUPAC name of (S)-[1-[5-(2,5-dimethylfuran-3-yl)-1,2,4-triazin-3-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol (CID 42511908) is (S)-[1-[5-(2,5-dimethylfuran-3-yl)-1,2,4-triazin-3-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol.
What is the SMILES notation for (S)-[1-[5-(2,5-dimethylfuran-3-yl)-1,2,4-triazin-3-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
The canonical SMILES for (S)-[1-[5-(2,5-dimethylfuran-3-yl)-1,2,4-triazin-3-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol is Cc1cc(-c2cnnc(N3CCC([C@H](O)c4nccn4C)CC3)n2)c(C)o1.
What is the InChIKey of (S)-[1-[5-(2,5-dimethylfuran-3-yl)-1,2,4-triazin-3-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
The InChIKey is SHGUPRSLBOUBGP-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-12-10-15(13(2)27-12)16-11-21-23-19(22-16)25-7-4-14(5-8-25)17(26)18-20-6-9-24(18)3/h6,9-11,14,17,26H,4-5,7-8H2,1-3H3/t17-/m0/s1.
What are the key properties of (S)-[1-[5-(2,5-dimethylfuran-3-yl)-1,2,4-triazin-3-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
(S)-[1-[5-(2,5-dimethylfuran-3-yl)-1,2,4-triazin-3-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol has a molecular weight of 368.44 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[1-[5-(2,5-dimethylfuran-3-yl)-1,2,4-triazin-3-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol is sourced from PubChem (CID 42511908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).