8-(2,4-dichlorophenyl)-N-hexan-3-yl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine

C19H23Cl2N5 — CID 10668220

IUPAC8-(2,4-dichlorophenyl)-N-hexan-3-yl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCCC(CC)Nc1nc(C)nc2c(-c3ccc(Cl)cc3Cl)c(C)nn12
InChIInChI=1S/C19H23Cl2N5/c1-5-7-14(6-2)24-19-23-12(4)22-18-17(11(3)25-26(18)19)15-9-8-13(20)10-16(15)21/h8-10,14H,5-7H2,1-4H3,(H,22,23,24)
InChIKeyUBGCLDYSJKCQFS-UHFFFAOYSA-N
MW392.33 g/mol
LogP5.71
Rot. Bonds6

About 8-(2,4-dichlorophenyl)-N-hexan-3-yl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine

8-(2,4-dichlorophenyl)-N-hexan-3-yl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 10668220) has the molecular formula C19H23Cl2N5 and a molecular weight of 392.33 g/mol. Its IUPAC name is 8-(2,4-dichlorophenyl)-N-hexan-3-yl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound Name8-(2,4-dichlorophenyl)-N-hexan-3-yl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID10668220
Molecular FormulaC19H23Cl2N5
Molecular Weight392.33 g/mol
Exact Mass391.13
IUPAC Name8-(2,4-dichlorophenyl)-N-hexan-3-yl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCCC(CC)Nc1nc(C)nc2c(-c3ccc(Cl)cc3Cl)c(C)nn12
InChIInChI=1S/C19H23Cl2N5/c1-5-7-14(6-2)24-19-23-12(4)22-18-17(11(3)25-26(18)19)15-9-8-13(20)10-16(15)21/h8-10,14H,5-7H2,1-4H3,(H,22,23,24)
InChIKeyUBGCLDYSJKCQFS-UHFFFAOYSA-N
XLogP5.71
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.33
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-(2,4-dichlorophenyl)-N-hexan-3-yl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine with MolForge

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Related Compounds

8-(2,4-dichlorophenyl)-2,7-dimethyl-N,N-dipropylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 10715520
10-(4-chloro-2-methylphenyl)-11-methyl-N-pentan-3-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine;hydrochloride
CID 68707036
8-(2,4-dichlorophenyl)-2,7-dimethyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
CID 135536735
10-(2-chloro-4-ethoxyphenyl)-11-methyl-N-pentan-3-yl-5-oxa-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine;hydrochloride
CID 22178098
10-(2-chloro-4-ethoxyphenyl)-11-methyl-N-pentan-3-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine;hydrochloride
CID 22178018
3-chloro-4-[11-methyl-2-(pentan-3-ylamino)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-10-yl]benzamide
CID 22177814
5-(2,4-dichlorophenyl)-6-methyl-N-pentan-3-ylpyrazin-2-amine
CID 23068437
N-heptan-4-yl-10-(4-methoxy-2-methylphenyl)-11-methyl-5-oxa-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
CID 22178027
2-methyl-N-pentan-3-yl-8-(2,4,6-trimethylphenyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 22474342
N'-[8-(2,6-dichloro-4-ethoxyphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]ethane-1,2-diamine
CID 139946304
10-(2,5-dichloro-4-methoxyphenyl)-11-methyl-N-pentan-3-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
CID 22177836
5-chloro-6-[11-methyl-2-(pentan-3-ylamino)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-10-yl]indene-1,3-dione
CID 67406034

Frequently Asked Questions

What is the IUPAC name of 8-(2,4-dichlorophenyl)-N-hexan-3-yl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of 8-(2,4-dichlorophenyl)-N-hexan-3-yl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 10668220) is 8-(2,4-dichlorophenyl)-N-hexan-3-yl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for 8-(2,4-dichlorophenyl)-N-hexan-3-yl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for 8-(2,4-dichlorophenyl)-N-hexan-3-yl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine is CCCC(CC)Nc1nc(C)nc2c(-c3ccc(Cl)cc3Cl)c(C)nn12.
What is the InChIKey of 8-(2,4-dichlorophenyl)-N-hexan-3-yl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is UBGCLDYSJKCQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl2N5/c1-5-7-14(6-2)24-19-23-12(4)22-18-17(11(3)25-26(18)19)15-9-8-13(20)10-16(15)21/h8-10,14H,5-7H2,1-4H3,(H,22,23,24).
What are the key properties of 8-(2,4-dichlorophenyl)-N-hexan-3-yl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
8-(2,4-dichlorophenyl)-N-hexan-3-yl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 392.33 g/mol, XLogP of 5.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4-dichlorophenyl)-N-hexan-3-yl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 10668220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).