5,6-diethyl-N-[1-(oxolan-3-yl)ethyl]-1,2,4-triazin-3-amine

C13H22N4O — CID 105362864

IUPAC5,6-diethyl-N-[1-(oxolan-3-yl)ethyl]-1,2,4-triazin-3-amine
SMILESCCc1nnc(NC(C)C2CCOC2)nc1CC
InChIInChI=1S/C13H22N4O/c1-4-11-12(5-2)16-17-13(15-11)14-9(3)10-6-7-18-8-10/h9-10H,4-8H2,1-3H3,(H,14,15,17)
InChIKeyUQQAHPMVZNPQPZ-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.83
Rot. Bonds5

About 5,6-diethyl-N-[1-(oxolan-3-yl)ethyl]-1,2,4-triazin-3-amine

5,6-diethyl-N-[1-(oxolan-3-yl)ethyl]-1,2,4-triazin-3-amine (PubChem CID 105362864) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 5,6-diethyl-N-[1-(oxolan-3-yl)ethyl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5,6-diethyl-N-[1-(oxolan-3-yl)ethyl]-1,2,4-triazin-3-amine
PubChem CID105362864
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name5,6-diethyl-N-[1-(oxolan-3-yl)ethyl]-1,2,4-triazin-3-amine
SMILESCCc1nnc(NC(C)C2CCOC2)nc1CC
InChIInChI=1S/C13H22N4O/c1-4-11-12(5-2)16-17-13(15-11)14-9(3)10-6-7-18-8-10/h9-10H,4-8H2,1-3H3,(H,14,15,17)
InChIKeyUQQAHPMVZNPQPZ-UHFFFAOYSA-N
XLogP1.83
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-diethyl-N-(1-morpholin-4-ylpropan-2-yl)-1,2,4-triazin-3-amine
CID 105362530
3,5-dichloro-2-N-ethyl-6-N-[1-(oxolan-3-yl)ethyl]pyridine-2,6-diamine
CID 102760091
N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(oxolan-3-yl)methyl]cyclopropanamine
CID 61334675
ethyl 4-methyl-2-[1-(oxolan-3-yl)ethylamino]pyrimidine-5-carboxylate
CID 115967564
4-butyl-N-[1-(oxolan-3-yl)ethyl]aniline
CID 115916962
N-[1-(oxolan-3-yl)ethyl]-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 107858180
6-chloro-2-methyl-N-[1-(oxolan-3-yl)ethyl]pyrimidin-4-amine
CID 115658056
1-(oxan-4-yl)-N-[1-(oxolan-3-yl)ethyl]ethanamine
CID 115724018
1-cyclopropyl-N-[1-(oxolan-3-yl)ethyl]ethanamine
CID 115677339
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655281
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115684441
2-chloro-N-[1-(oxolan-3-yl)ethyl]pyrimidin-4-amine
CID 115695408

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-N-[1-(oxolan-3-yl)ethyl]-1,2,4-triazin-3-amine?
The IUPAC name of 5,6-diethyl-N-[1-(oxolan-3-yl)ethyl]-1,2,4-triazin-3-amine (CID 105362864) is 5,6-diethyl-N-[1-(oxolan-3-yl)ethyl]-1,2,4-triazin-3-amine.
What is the SMILES notation for 5,6-diethyl-N-[1-(oxolan-3-yl)ethyl]-1,2,4-triazin-3-amine?
The canonical SMILES for 5,6-diethyl-N-[1-(oxolan-3-yl)ethyl]-1,2,4-triazin-3-amine is CCc1nnc(NC(C)C2CCOC2)nc1CC.
What is the InChIKey of 5,6-diethyl-N-[1-(oxolan-3-yl)ethyl]-1,2,4-triazin-3-amine?
The InChIKey is UQQAHPMVZNPQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-11-12(5-2)16-17-13(15-11)14-9(3)10-6-7-18-8-10/h9-10H,4-8H2,1-3H3,(H,14,15,17).
What are the key properties of 5,6-diethyl-N-[1-(oxolan-3-yl)ethyl]-1,2,4-triazin-3-amine?
5,6-diethyl-N-[1-(oxolan-3-yl)ethyl]-1,2,4-triazin-3-amine has a molecular weight of 250.35 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-N-[1-(oxolan-3-yl)ethyl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 105362864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).