3-[cyclobutyl-(5,6-diethyl-1,2,4-triazin-3-yl)amino]propan-1-ol

C14H24N4O — CID 102868602

IUPAC3-[cyclobutyl-(5,6-diethyl-1,2,4-triazin-3-yl)amino]propan-1-ol
SMILESCCc1nnc(N(CCCO)C2CCC2)nc1CC
InChIInChI=1S/C14H24N4O/c1-3-12-13(4-2)16-17-14(15-12)18(9-6-10-19)11-7-5-8-11/h11,19H,3-10H2,1-2H3
InChIKeyXVIFXAGSYUWLMF-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.74
Rot. Bonds7

About 3-[cyclobutyl-(5,6-diethyl-1,2,4-triazin-3-yl)amino]propan-1-ol

3-[cyclobutyl-(5,6-diethyl-1,2,4-triazin-3-yl)amino]propan-1-ol (PubChem CID 102868602) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-[cyclobutyl-(5,6-diethyl-1,2,4-triazin-3-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[cyclobutyl-(5,6-diethyl-1,2,4-triazin-3-yl)amino]propan-1-ol
PubChem CID102868602
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name3-[cyclobutyl-(5,6-diethyl-1,2,4-triazin-3-yl)amino]propan-1-ol
SMILESCCc1nnc(N(CCCO)C2CCC2)nc1CC
InChIInChI=1S/C14H24N4O/c1-3-12-13(4-2)16-17-14(15-12)18(9-6-10-19)11-7-5-8-11/h11,19H,3-10H2,1-2H3
InChIKeyXVIFXAGSYUWLMF-UHFFFAOYSA-N
XLogP1.74
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[cyclobutyl-(5,6-diethyl-1,2,4-triazin-3-yl)amino]propan-1-ol with MolForge

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Related Compounds

3-[cyclobutyl-(4-ethyl-1,3-thiazol-2-yl)amino]propan-1-ol
CID 102846790
3-[cyclobutyl-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]propan-1-ol
CID 102868690
3-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-cyclobutylamino]propan-1-ol
CID 102875532
3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol
CID 102875553
2-[cyclobutyl(3-hydroxypropyl)amino]pyrimidine-4-carbothioamide
CID 107548195
3-[(3-amino-6-methyl-2-pyridinyl)-cyclobutylamino]propan-1-ol
CID 102859402
3-[(6-chloropyrazin-2-yl)-cyclobutylamino]propan-1-ol
CID 102846670
4-N-(5,6-diethyl-1,2,4-triazin-3-yl)-4-N-methylcyclohexane-1,4-diamine
CID 105362020
3-[[5-[(tert-butylamino)methyl]pyrimidin-2-yl]-cyclobutylamino]propan-1-ol
CID 102864733
3-[(6-amino-5-ethylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol
CID 102875507
3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol
CID 102865866
2-[cyclobutyl(3-hydroxypropyl)amino]-6-methylpyridine-3-carboximidamide
CID 102862991

Frequently Asked Questions

What is the IUPAC name of 3-[cyclobutyl-(5,6-diethyl-1,2,4-triazin-3-yl)amino]propan-1-ol?
The IUPAC name of 3-[cyclobutyl-(5,6-diethyl-1,2,4-triazin-3-yl)amino]propan-1-ol (CID 102868602) is 3-[cyclobutyl-(5,6-diethyl-1,2,4-triazin-3-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[cyclobutyl-(5,6-diethyl-1,2,4-triazin-3-yl)amino]propan-1-ol?
The canonical SMILES for 3-[cyclobutyl-(5,6-diethyl-1,2,4-triazin-3-yl)amino]propan-1-ol is CCc1nnc(N(CCCO)C2CCC2)nc1CC.
What is the InChIKey of 3-[cyclobutyl-(5,6-diethyl-1,2,4-triazin-3-yl)amino]propan-1-ol?
The InChIKey is XVIFXAGSYUWLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-3-12-13(4-2)16-17-14(15-12)18(9-6-10-19)11-7-5-8-11/h11,19H,3-10H2,1-2H3.
What are the key properties of 3-[cyclobutyl-(5,6-diethyl-1,2,4-triazin-3-yl)amino]propan-1-ol?
3-[cyclobutyl-(5,6-diethyl-1,2,4-triazin-3-yl)amino]propan-1-ol has a molecular weight of 264.37 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclobutyl-(5,6-diethyl-1,2,4-triazin-3-yl)amino]propan-1-ol is sourced from PubChem (CID 102868602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).