5,6-diethyl-N-(1-methoxybutan-2-yl)-1,2,4-triazin-3-amine

C12H22N4O — CID 105362667

IUPAC5,6-diethyl-N-(1-methoxybutan-2-yl)-1,2,4-triazin-3-amine
SMILESCCc1nnc(NC(CC)COC)nc1CC
InChIInChI=1S/C12H22N4O/c1-5-9(8-17-4)13-12-14-10(6-2)11(7-3)15-16-12/h9H,5-8H2,1-4H3,(H,13,14,16)
InChIKeyKWPJNGHXZFTZHB-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.83
Rot. Bonds7

About 5,6-diethyl-N-(1-methoxybutan-2-yl)-1,2,4-triazin-3-amine

5,6-diethyl-N-(1-methoxybutan-2-yl)-1,2,4-triazin-3-amine (PubChem CID 105362667) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 5,6-diethyl-N-(1-methoxybutan-2-yl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5,6-diethyl-N-(1-methoxybutan-2-yl)-1,2,4-triazin-3-amine
PubChem CID105362667
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name5,6-diethyl-N-(1-methoxybutan-2-yl)-1,2,4-triazin-3-amine
SMILESCCc1nnc(NC(CC)COC)nc1CC
InChIInChI=1S/C12H22N4O/c1-5-9(8-17-4)13-12-14-10(6-2)11(7-3)15-16-12/h9H,5-8H2,1-4H3,(H,13,14,16)
InChIKeyKWPJNGHXZFTZHB-UHFFFAOYSA-N
XLogP1.83
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-diethyl-N-pentan-3-yl-1,2,4-triazin-3-amine
CID 105362359
methyl 2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propanoate
CID 105362420
2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-4-methylpentan-1-ol
CID 105362502
1-N-(5,6-diethyl-1,2,4-triazin-3-yl)-4-methoxybutane-1,3-diamine
CID 114163207
2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propan-1-ol
CID 105362419
2-N-(5,6-diethyl-1,2,4-triazin-3-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 105362544
5,6-diethyl-N-(4-methoxy-2,2-dimethylbutyl)-1,2,4-triazin-3-amine
CID 106545016
2-N-(1-methoxybutan-2-yl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80837026
2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-3-methylbutanamide
CID 103095305
6-chloro-2-N-(1-methoxybutan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80837966
3-N-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1,3-diamine
CID 105363517
2-N-(5,6-diethyl-1,2,4-triazin-3-yl)-1-N,1-N-diethylpropane-1,2-diamine
CID 105362578

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-N-(1-methoxybutan-2-yl)-1,2,4-triazin-3-amine?
The IUPAC name of 5,6-diethyl-N-(1-methoxybutan-2-yl)-1,2,4-triazin-3-amine (CID 105362667) is 5,6-diethyl-N-(1-methoxybutan-2-yl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5,6-diethyl-N-(1-methoxybutan-2-yl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5,6-diethyl-N-(1-methoxybutan-2-yl)-1,2,4-triazin-3-amine is CCc1nnc(NC(CC)COC)nc1CC.
What is the InChIKey of 5,6-diethyl-N-(1-methoxybutan-2-yl)-1,2,4-triazin-3-amine?
The InChIKey is KWPJNGHXZFTZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-5-9(8-17-4)13-12-14-10(6-2)11(7-3)15-16-12/h9H,5-8H2,1-4H3,(H,13,14,16).
What are the key properties of 5,6-diethyl-N-(1-methoxybutan-2-yl)-1,2,4-triazin-3-amine?
5,6-diethyl-N-(1-methoxybutan-2-yl)-1,2,4-triazin-3-amine has a molecular weight of 238.33 g/mol, XLogP of 1.83, 7 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-methoxybutan-2-yl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 105362667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).