3-[6-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-3,4-dimethyl-2,3-dihydro-1H-1,2,4-triazin-5-yl]propan-1-ol

C18H24FN5OS — CID 126690068

IUPAC3-[6-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-3,4-dimethyl-2,3-dihydro-1H-1,2,4-triazin-5-yl]propan-1-ol
SMILESCC1NNC(N(C)c2nc(-c3ccc(F)cc3)cs2)=C(CCCO)N1C
InChIInChI=1S/C18H24FN5OS/c1-12-21-22-17(16(23(12)2)5-4-10-25)24(3)18-20-15(11-26-18)13-6-8-14(19)9-7-13/h6-9,11-12,21-22,25H,4-5,10H2,1-3H3
InChIKeyDVVNFXOKLKWRAY-UHFFFAOYSA-N
MW377.49 g/mol
LogP2.71
Rot. Bonds6

About 3-[6-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-3,4-dimethyl-2,3-dihydro-1H-1,2,4-triazin-5-yl]propan-1-ol

3-[6-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-3,4-dimethyl-2,3-dihydro-1H-1,2,4-triazin-5-yl]propan-1-ol (PubChem CID 126690068) has the molecular formula C18H24FN5OS and a molecular weight of 377.49 g/mol. Its IUPAC name is 3-[6-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-3,4-dimethyl-2,3-dihydro-1H-1,2,4-triazin-5-yl]propan-1-ol.

Molecular Properties

Compound Name3-[6-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-3,4-dimethyl-2,3-dihydro-1H-1,2,4-triazin-5-yl]propan-1-ol
PubChem CID126690068
Molecular FormulaC18H24FN5OS
Molecular Weight377.49 g/mol
Exact Mass377.17
IUPAC Name3-[6-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-3,4-dimethyl-2,3-dihydro-1H-1,2,4-triazin-5-yl]propan-1-ol
SMILESCC1NNC(N(C)c2nc(-c3ccc(F)cc3)cs2)=C(CCCO)N1C
InChIInChI=1S/C18H24FN5OS/c1-12-21-22-17(16(23(12)2)5-4-10-25)24(3)18-20-15(11-26-18)13-6-8-14(19)9-7-13/h6-9,11-12,21-22,25H,4-5,10H2,1-3H3
InChIKeyDVVNFXOKLKWRAY-UHFFFAOYSA-N
XLogP2.71
TPSA63.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-[6-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-3,4-dimethyl-2,3-dihydro-1H-1,2,4-triazin-5-yl]propan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-3,4-dimethyl-2,3-dihydro-1H-1,2,4-triazin-5-yl]propan-1-ol?
The IUPAC name of 3-[6-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-3,4-dimethyl-2,3-dihydro-1H-1,2,4-triazin-5-yl]propan-1-ol (CID 126690068) is 3-[6-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-3,4-dimethyl-2,3-dihydro-1H-1,2,4-triazin-5-yl]propan-1-ol.
What is the SMILES notation for 3-[6-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-3,4-dimethyl-2,3-dihydro-1H-1,2,4-triazin-5-yl]propan-1-ol?
The canonical SMILES for 3-[6-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-3,4-dimethyl-2,3-dihydro-1H-1,2,4-triazin-5-yl]propan-1-ol is CC1NNC(N(C)c2nc(-c3ccc(F)cc3)cs2)=C(CCCO)N1C.
What is the InChIKey of 3-[6-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-3,4-dimethyl-2,3-dihydro-1H-1,2,4-triazin-5-yl]propan-1-ol?
The InChIKey is DVVNFXOKLKWRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5OS/c1-12-21-22-17(16(23(12)2)5-4-10-25)24(3)18-20-15(11-26-18)13-6-8-14(19)9-7-13/h6-9,11-12,21-22,25H,4-5,10H2,1-3H3.
What are the key properties of 3-[6-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-3,4-dimethyl-2,3-dihydro-1H-1,2,4-triazin-5-yl]propan-1-ol?
3-[6-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-3,4-dimethyl-2,3-dihydro-1H-1,2,4-triazin-5-yl]propan-1-ol has a molecular weight of 377.49 g/mol, XLogP of 2.71, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-3,4-dimethyl-2,3-dihydro-1H-1,2,4-triazin-5-yl]propan-1-ol is sourced from PubChem (CID 126690068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).