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

C9H11BrN6O — CID 80853086

IUPAC4-(4-bromopyrazol-1-yl)-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(N)nc(-n2cc(Br)cn2)n1
InChIInChI=1S/C9H11BrN6O/c1-2-3-17-9-14-7(11)13-8(15-9)16-5-6(10)4-12-16/h4-5H,2-3H2,1H3,(H2,11,13,14,15)
InChIKeyDAOQGEFYWJHJNB-UHFFFAOYSA-N
MW299.13 g/mol
LogP1.19
Rot. Bonds4

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

4-(4-bromopyrazol-1-yl)-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 80853086) has the molecular formula C9H11BrN6O and a molecular weight of 299.13 g/mol. Its IUPAC name is 4-(4-bromopyrazol-1-yl)-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4-bromopyrazol-1-yl)-6-propoxy-1,3,5-triazin-2-amine
PubChem CID80853086
Molecular FormulaC9H11BrN6O
Molecular Weight299.13 g/mol
Exact Mass298.02
IUPAC Name4-(4-bromopyrazol-1-yl)-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(N)nc(-n2cc(Br)cn2)n1
InChIInChI=1S/C9H11BrN6O/c1-2-3-17-9-14-7(11)13-8(15-9)16-5-6(10)4-12-16/h4-5H,2-3H2,1H3,(H2,11,13,14,15)
InChIKeyDAOQGEFYWJHJNB-UHFFFAOYSA-N
XLogP1.19
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.13
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-propoxy-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80853858
4-(4-bromopyrazol-1-yl)-6-chloro-1,3,5-triazin-2-amine
CID 80852898
4-heptoxy-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80862326
4-(4-bromopyrazol-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80853993
1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)pyrazole-4-carboxamide
CID 64781416
4-(2-butoxyethoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80861779
4-(3,5-dimethyl-1,2,4-triazol-1-yl)-6-propoxy-1,3,5-triazin-2-amine
CID 80857105
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-methoxypropoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80865388
4-(3-bromophenoxy)-6-propoxy-1,3,5-triazin-2-amine
CID 80870082
1-(4-amino-6-propoxy-1,3,5-triazin-2-yl)-4-methylpiperidin-4-ol
CID 81108978

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromopyrazol-1-yl)-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4-bromopyrazol-1-yl)-6-propoxy-1,3,5-triazin-2-amine (CID 80853086) is 4-(4-bromopyrazol-1-yl)-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4-bromopyrazol-1-yl)-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4-bromopyrazol-1-yl)-6-propoxy-1,3,5-triazin-2-amine is CCCOc1nc(N)nc(-n2cc(Br)cn2)n1.
What is the InChIKey of 4-(4-bromopyrazol-1-yl)-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is DAOQGEFYWJHJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN6O/c1-2-3-17-9-14-7(11)13-8(15-9)16-5-6(10)4-12-16/h4-5H,2-3H2,1H3,(H2,11,13,14,15).
What are the key properties of 4-(4-bromopyrazol-1-yl)-6-propoxy-1,3,5-triazin-2-amine?
4-(4-bromopyrazol-1-yl)-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 299.13 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromopyrazol-1-yl)-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80853086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).