(3R)-1-(5,6-diethyl-1,2,4-triazin-3-yl)pyrrolidin-3-ol

C11H18N4O — CID 105363184

IUPAC(3R)-1-(5,6-diethyl-1,2,4-triazin-3-yl)pyrrolidin-3-ol
SMILESCCc1nnc(N2CC[C@@H](O)C2)nc1CC
InChIInChI=1S/C11H18N4O/c1-3-9-10(4-2)13-14-11(12-9)15-6-5-8(16)7-15/h8,16H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyCOEIJGKOJZXYKV-MRVPVSSYSA-N
MW222.29 g/mol
LogP0.57
Rot. Bonds3

About (3R)-1-(5,6-diethyl-1,2,4-triazin-3-yl)pyrrolidin-3-ol

(3R)-1-(5,6-diethyl-1,2,4-triazin-3-yl)pyrrolidin-3-ol (PubChem CID 105363184) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is (3R)-1-(5,6-diethyl-1,2,4-triazin-3-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-(5,6-diethyl-1,2,4-triazin-3-yl)pyrrolidin-3-ol
PubChem CID105363184
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name(3R)-1-(5,6-diethyl-1,2,4-triazin-3-yl)pyrrolidin-3-ol
SMILESCCc1nnc(N2CC[C@@H](O)C2)nc1CC
InChIInChI=1S/C11H18N4O/c1-3-9-10(4-2)13-14-11(12-9)15-6-5-8(16)7-15/h8,16H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyCOEIJGKOJZXYKV-MRVPVSSYSA-N
XLogP0.57
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5,6-diethyl-1,2,4-triazin-3-yl)-N-methylpyrrolidin-3-amine
CID 105363076
3-(4-bromopiperidin-1-yl)-5,6-diethyl-1,2,4-triazine
CID 105363434
1-[1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidin-3-yl]ethanone
CID 105362265
3-cyclopropyl-5-[1-(5,6-diethyl-1,2,4-triazin-3-yl)pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 128979629
1-[1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidin-3-yl]ethanamine
CID 105362011
3-[1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidin-4-yl]propanoic acid
CID 105362083
2-[1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidin-4-yl]-N-methylethanamine
CID 105363020
(3R)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-ol
CID 103696650
(3S)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol
CID 103718731
1-(6-amino-2-ethylpyrimidin-4-yl)pyrrolidin-3-ol
CID 80935425
ethyl 1-(5,6-diethyl-1,2,4-triazin-3-yl)pyrrolidine-2-carboxylate
CID 114985351
5,6-diethyl-3-[(2S,4S)-4-methoxy-2-methylpiperidin-1-yl]-1,2,4-triazine
CID 124872866

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(5,6-diethyl-1,2,4-triazin-3-yl)pyrrolidin-3-ol?
The IUPAC name of (3R)-1-(5,6-diethyl-1,2,4-triazin-3-yl)pyrrolidin-3-ol (CID 105363184) is (3R)-1-(5,6-diethyl-1,2,4-triazin-3-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-(5,6-diethyl-1,2,4-triazin-3-yl)pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-(5,6-diethyl-1,2,4-triazin-3-yl)pyrrolidin-3-ol is CCc1nnc(N2CC[C@@H](O)C2)nc1CC.
What is the InChIKey of (3R)-1-(5,6-diethyl-1,2,4-triazin-3-yl)pyrrolidin-3-ol?
The InChIKey is COEIJGKOJZXYKV-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-3-9-10(4-2)13-14-11(12-9)15-6-5-8(16)7-15/h8,16H,3-7H2,1-2H3/t8-/m1/s1.
What are the key properties of (3R)-1-(5,6-diethyl-1,2,4-triazin-3-yl)pyrrolidin-3-ol?
(3R)-1-(5,6-diethyl-1,2,4-triazin-3-yl)pyrrolidin-3-ol has a molecular weight of 222.29 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(5,6-diethyl-1,2,4-triazin-3-yl)pyrrolidin-3-ol is sourced from PubChem (CID 105363184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).