2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine

C11H18N8O — CID 80822126

IUPAC2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(N)nc(NC(C)c2nncn2C)n1
InChIInChI=1S/C11H18N8O/c1-4-5-20-11-16-9(12)15-10(17-11)14-7(2)8-18-13-6-19(8)3/h6-7H,4-5H2,1-3H3,(H3,12,14,15,16,17)
InChIKeySSWLYCKKBCKVFC-UHFFFAOYSA-N
MW278.32 g/mol
LogP0.54
Rot. Bonds6

About 2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine

2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine (PubChem CID 80822126) has the molecular formula C11H18N8O and a molecular weight of 278.32 g/mol. Its IUPAC name is 2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine
PubChem CID80822126
Molecular FormulaC11H18N8O
Molecular Weight278.32 g/mol
Exact Mass278.16
IUPAC Name2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(N)nc(NC(C)c2nncn2C)n1
InChIInChI=1S/C11H18N8O/c1-4-5-20-11-16-9(12)15-10(17-11)14-7(2)8-18-13-6-19(8)3/h6-7H,4-5H2,1-3H3,(H3,12,14,15,16,17)
InChIKeySSWLYCKKBCKVFC-UHFFFAOYSA-N
XLogP0.54
TPSA116.66 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

6-ethoxy-2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80822860
2-N-[1-(2-methylphenyl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80783677
2-N-pentan-3-yl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80769885
4-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80902877
2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 106390397
2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,5-diamine
CID 62118630
2-N-[1-(5-chlorothiophen-2-yl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80803905
2-N-(5-methylhexan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80839472
2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]propane-1,3-diol
CID 80842284
(2S)-2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol
CID 80849068
4,6-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine
CID 62117357
3-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine
CID 66276448

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine (CID 80822126) is 2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine is CCCOc1nc(N)nc(NC(C)c2nncn2C)n1.
What is the InChIKey of 2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is SSWLYCKKBCKVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N8O/c1-4-5-20-11-16-9(12)15-10(17-11)14-7(2)8-18-13-6-19(8)3/h6-7H,4-5H2,1-3H3,(H3,12,14,15,16,17).
What are the key properties of 2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine?
2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 278.32 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80822126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).