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

C8H11N7O — CID 80853858

IUPAC4-propoxy-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCCCOc1nc(N)nc(-n2cncn2)n1
InChIInChI=1S/C8H11N7O/c1-2-3-16-8-13-6(9)12-7(14-8)15-5-10-4-11-15/h4-5H,2-3H2,1H3,(H2,9,12,13,14)
InChIKeyVOCFWLAAZNAFRO-UHFFFAOYSA-N
MW221.22 g/mol
LogP-0.18
Rot. Bonds4

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

4-propoxy-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (PubChem CID 80853858) has the molecular formula C8H11N7O and a molecular weight of 221.22 g/mol. Its IUPAC name is 4-propoxy-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-propoxy-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
PubChem CID80853858
Molecular FormulaC8H11N7O
Molecular Weight221.22 g/mol
Exact Mass221.10
IUPAC Name4-propoxy-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCCCOc1nc(N)nc(-n2cncn2)n1
InChIInChI=1S/C8H11N7O/c1-2-3-16-8-13-6(9)12-7(14-8)15-5-10-4-11-15/h4-5H,2-3H2,1H3,(H2,9,12,13,14)
InChIKeyVOCFWLAAZNAFRO-UHFFFAOYSA-N
XLogP-0.18
TPSA104.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-but-3-enoxy-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80861454
4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80879284
4-(2,2,3,3,3-pentafluoropropoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80871032
2-chloro-4-(2-propoxyethoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine
CID 63685456
4-(4-bromopyrazol-1-yl)-6-propoxy-1,3,5-triazin-2-amine
CID 80853086
4-butoxy-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80865702
4-hexoxy-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80861914
4-propylsulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80886795
4-N-methyl-4-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80774894
4-(3-ethylphenoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80846676
4-(3,5-dimethyl-1,2,4-triazol-1-yl)-6-propoxy-1,3,5-triazin-2-amine
CID 80857105
4-heptoxy-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80862326

Frequently Asked Questions

What is the IUPAC name of 4-propoxy-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-propoxy-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (CID 80853858) is 4-propoxy-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-propoxy-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-propoxy-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is CCCOc1nc(N)nc(-n2cncn2)n1.
What is the InChIKey of 4-propoxy-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is VOCFWLAAZNAFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N7O/c1-2-3-16-8-13-6(9)12-7(14-8)15-5-10-4-11-15/h4-5H,2-3H2,1H3,(H2,9,12,13,14).
What are the key properties of 4-propoxy-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
4-propoxy-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 221.22 g/mol, XLogP of -0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propoxy-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80853858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).