4-(3,5-dimethyl-1,2,4-triazol-1-yl)-6-propoxy-1,3,5-triazin-2-amine

C10H15N7O — CID 80857105

IUPAC4-(3,5-dimethyl-1,2,4-triazol-1-yl)-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(N)nc(-n2nc(C)nc2C)n1
InChIInChI=1S/C10H15N7O/c1-4-5-18-10-14-8(11)13-9(15-10)17-7(3)12-6(2)16-17/h4-5H2,1-3H3,(H2,11,13,14,15)
InChIKeyLTWJQYFXTQEMSS-UHFFFAOYSA-N
MW249.28 g/mol
LogP0.44
Rot. Bonds4

About 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-6-propoxy-1,3,5-triazin-2-amine

4-(3,5-dimethyl-1,2,4-triazol-1-yl)-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 80857105) has the molecular formula C10H15N7O and a molecular weight of 249.28 g/mol. Its IUPAC name is 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3,5-dimethyl-1,2,4-triazol-1-yl)-6-propoxy-1,3,5-triazin-2-amine
PubChem CID80857105
Molecular FormulaC10H15N7O
Molecular Weight249.28 g/mol
Exact Mass249.13
IUPAC Name4-(3,5-dimethyl-1,2,4-triazol-1-yl)-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(N)nc(-n2nc(C)nc2C)n1
InChIInChI=1S/C10H15N7O/c1-4-5-18-10-14-8(11)13-9(15-10)17-7(3)12-6(2)16-17/h4-5H2,1-3H3,(H2,11,13,14,15)
InChIKeyLTWJQYFXTQEMSS-UHFFFAOYSA-N
XLogP0.44
TPSA104.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80857692
4-propoxy-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80853858
1-(4-amino-6-propoxy-1,3,5-triazin-2-yl)-4-methylpiperidin-4-ol
CID 81108978
4-(2-methylpyrrolidin-1-yl)-6-propoxy-1,3,5-triazin-2-amine
CID 80791929
4-(4-bromopyrazol-1-yl)-6-propoxy-1,3,5-triazin-2-amine
CID 80853086
4-(3-ethylmorpholin-4-yl)-6-propoxy-1,3,5-triazin-2-amine
CID 80789305
2-[4-(4-amino-6-propoxy-1,3,5-triazin-2-yl)piperazin-1-yl]ethanol
CID 80778474
4-[4-(cyclopropylmethyl)piperazin-1-yl]-6-propoxy-1,3,5-triazin-2-amine
CID 80779052
4-(3-methylbutoxy)-6-propoxy-1,3,5-triazin-2-amine
CID 80858156
[4-(4-amino-6-propoxy-1,3,5-triazin-2-yl)-6-methylmorpholin-2-yl]methanol
CID 102939087
4-but-3-ynoxy-6-propoxy-1,3,5-triazin-2-amine
CID 106795654
6-propoxy-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80763865

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-6-propoxy-1,3,5-triazin-2-amine (CID 80857105) is 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-6-propoxy-1,3,5-triazin-2-amine is CCCOc1nc(N)nc(-n2nc(C)nc2C)n1.
What is the InChIKey of 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is LTWJQYFXTQEMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N7O/c1-4-5-18-10-14-8(11)13-9(15-10)17-7(3)12-6(2)16-17/h4-5H2,1-3H3,(H2,11,13,14,15).
What are the key properties of 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-6-propoxy-1,3,5-triazin-2-amine?
4-(3,5-dimethyl-1,2,4-triazol-1-yl)-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 249.28 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80857105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).