4-ethoxy-N-methyl-6-(3-propyltriazol-4-yl)-1,3,5-triazin-2-amine

C11H17N7O — CID 114691121

IUPAC4-ethoxy-N-methyl-6-(3-propyltriazol-4-yl)-1,3,5-triazin-2-amine
SMILESCCCn1nncc1-c1nc(NC)nc(OCC)n1
InChIInChI=1S/C11H17N7O/c1-4-6-18-8(7-13-17-18)9-14-10(12-3)16-11(15-9)19-5-2/h7H,4-6H2,1-3H3,(H,12,14,15,16)
InChIKeySFAHDDAQFTUKEI-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.98
Rot. Bonds6

About 4-ethoxy-N-methyl-6-(3-propyltriazol-4-yl)-1,3,5-triazin-2-amine

4-ethoxy-N-methyl-6-(3-propyltriazol-4-yl)-1,3,5-triazin-2-amine (PubChem CID 114691121) has the molecular formula C11H17N7O and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-ethoxy-N-methyl-6-(3-propyltriazol-4-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-methyl-6-(3-propyltriazol-4-yl)-1,3,5-triazin-2-amine
PubChem CID114691121
Molecular FormulaC11H17N7O
Molecular Weight263.30 g/mol
Exact Mass263.15
IUPAC Name4-ethoxy-N-methyl-6-(3-propyltriazol-4-yl)-1,3,5-triazin-2-amine
SMILESCCCn1nncc1-c1nc(NC)nc(OCC)n1
InChIInChI=1S/C11H17N7O/c1-4-6-18-8(7-13-17-18)9-14-10(12-3)16-11(15-9)19-5-2/h7H,4-6H2,1-3H3,(H,12,14,15,16)
InChIKeySFAHDDAQFTUKEI-UHFFFAOYSA-N
XLogP0.98
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-N,2-N,4-N-trimethyl-6-(3-propyltriazol-4-yl)-1,3,5-triazine-2,4-diamine
CID 114691086
N-methyl-3-(3-propyltriazol-4-yl)pyrazin-2-amine
CID 114691130
N-ethyl-4-(3-methyltriazol-4-yl)-6-propoxy-1,3,5-triazin-2-amine
CID 114690907
4-(3,5-dichlorophenyl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
CID 114879260
2-ethoxy-N,2-dimethyl-1-(3-propyltriazol-4-yl)propan-1-amine
CID 114689248
4-ethoxy-N-methyl-6-(1-methylpyrazol-4-yl)oxy-1,3,5-triazin-2-amine
CID 116794366
4-ethoxy-N-methyl-6-phenylmethoxy-1,3,5-triazin-2-amine
CID 80859346
4-ethoxy-6-(2-fluoro-3-methoxyphenyl)-N-methyl-1,3,5-triazin-2-amine
CID 82812014
5-fluoro-4-(3-propyltriazol-4-yl)pyrimidin-2-amine
CID 114691134
2-(3-propyltriazol-4-yl)pyridin-3-ol
CID 136993168
4-ethoxy-6-(3-phenyltriazol-4-yl)-1,3,5-triazin-2-amine
CID 114691062
N-ethyl-5-methoxy-6-(3-propyltriazol-4-yl)pyrimidin-4-amine
CID 114691125

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-methyl-6-(3-propyltriazol-4-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethoxy-N-methyl-6-(3-propyltriazol-4-yl)-1,3,5-triazin-2-amine (CID 114691121) is 4-ethoxy-N-methyl-6-(3-propyltriazol-4-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethoxy-N-methyl-6-(3-propyltriazol-4-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethoxy-N-methyl-6-(3-propyltriazol-4-yl)-1,3,5-triazin-2-amine is CCCn1nncc1-c1nc(NC)nc(OCC)n1.
What is the InChIKey of 4-ethoxy-N-methyl-6-(3-propyltriazol-4-yl)-1,3,5-triazin-2-amine?
The InChIKey is SFAHDDAQFTUKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7O/c1-4-6-18-8(7-13-17-18)9-14-10(12-3)16-11(15-9)19-5-2/h7H,4-6H2,1-3H3,(H,12,14,15,16).
What are the key properties of 4-ethoxy-N-methyl-6-(3-propyltriazol-4-yl)-1,3,5-triazin-2-amine?
4-ethoxy-N-methyl-6-(3-propyltriazol-4-yl)-1,3,5-triazin-2-amine has a molecular weight of 263.30 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-methyl-6-(3-propyltriazol-4-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 114691121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).