N-ethyl-4-(3-methyltriazol-4-yl)-6-propoxy-1,3,5-triazin-2-amine

C11H17N7O — CID 114690907

IUPACN-ethyl-4-(3-methyltriazol-4-yl)-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NCC)nc(-c2cnnn2C)n1
InChIInChI=1S/C11H17N7O/c1-4-6-19-11-15-9(8-7-13-17-18(8)3)14-10(16-11)12-5-2/h7H,4-6H2,1-3H3,(H,12,14,15,16)
InChIKeyLQURUUHAQKCAHW-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.89
Rot. Bonds6

About N-ethyl-4-(3-methyltriazol-4-yl)-6-propoxy-1,3,5-triazin-2-amine

N-ethyl-4-(3-methyltriazol-4-yl)-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 114690907) has the molecular formula C11H17N7O and a molecular weight of 263.30 g/mol. Its IUPAC name is N-ethyl-4-(3-methyltriazol-4-yl)-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(3-methyltriazol-4-yl)-6-propoxy-1,3,5-triazin-2-amine
PubChem CID114690907
Molecular FormulaC11H17N7O
Molecular Weight263.30 g/mol
Exact Mass263.15
IUPAC NameN-ethyl-4-(3-methyltriazol-4-yl)-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NCC)nc(-c2cnnn2C)n1
InChIInChI=1S/C11H17N7O/c1-4-6-19-11-15-9(8-7-13-17-18(8)3)14-10(16-11)12-5-2/h7H,4-6H2,1-3H3,(H,12,14,15,16)
InChIKeyLQURUUHAQKCAHW-UHFFFAOYSA-N
XLogP0.89
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 ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-N-ethyl-2-N,2-N-dimethyl-6-(3-methyltriazol-4-yl)-1,3,5-triazine-2,4-diamine
CID 114690853
4-ethoxy-N-methyl-6-(3-propyltriazol-4-yl)-1,3,5-triazin-2-amine
CID 114691121
4-(3,3-dimethylbutoxy)-N-ethyl-6-propoxy-1,3,5-triazin-2-amine
CID 80877652
N-ethyl-4-(4-methylpentoxy)-6-propoxy-1,3,5-triazin-2-amine
CID 80861519
2-N,4-N-diethyl-6-hexadecoxy-1,3,5-triazine-2,4-diamine
CID 3103369
2-N,4-N-diethyl-6-octadecoxy-1,3,5-triazine-2,4-diamine
CID 146196905
N-ethyl-4-(2-methylbutan-2-yloxy)-6-propoxy-1,3,5-triazin-2-amine
CID 80861141
4-(2,2-difluoroethoxy)-N-ethyl-6-propoxy-1,3,5-triazin-2-amine
CID 82010193
N-ethyl-4-propoxy-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-amine
CID 80887898
4-N-ethyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80784173
1-[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]pyrrolidine-3,4-diol
CID 106674611
2-N-(2-ethoxy-2-methylpropyl)-4-N-ethyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 114944769

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(3-methyltriazol-4-yl)-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of N-ethyl-4-(3-methyltriazol-4-yl)-6-propoxy-1,3,5-triazin-2-amine (CID 114690907) is N-ethyl-4-(3-methyltriazol-4-yl)-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-ethyl-4-(3-methyltriazol-4-yl)-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-ethyl-4-(3-methyltriazol-4-yl)-6-propoxy-1,3,5-triazin-2-amine is CCCOc1nc(NCC)nc(-c2cnnn2C)n1.
What is the InChIKey of N-ethyl-4-(3-methyltriazol-4-yl)-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is LQURUUHAQKCAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7O/c1-4-6-19-11-15-9(8-7-13-17-18(8)3)14-10(16-11)12-5-2/h7H,4-6H2,1-3H3,(H,12,14,15,16).
What are the key properties of N-ethyl-4-(3-methyltriazol-4-yl)-6-propoxy-1,3,5-triazin-2-amine?
N-ethyl-4-(3-methyltriazol-4-yl)-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 263.30 g/mol, XLogP of 0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(3-methyltriazol-4-yl)-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 114690907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).