6-pyrazol-1-yl-2-N-[1-(1,3-thiazol-2-yl)propyl]-1,3,5-triazine-2,4-diamine

C12H14N8S — CID 80824466

IUPAC6-pyrazol-1-yl-2-N-[1-(1,3-thiazol-2-yl)propyl]-1,3,5-triazine-2,4-diamine
SMILESCCC(Nc1nc(N)nc(-n2cccn2)n1)c1nccs1
InChIInChI=1S/C12H14N8S/c1-2-8(9-14-5-7-21-9)16-11-17-10(13)18-12(19-11)20-6-3-4-15-20/h3-8H,2H2,1H3,(H3,13,16,17,18,19)
InChIKeyJUAUZTFFVSYIQU-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.66
Rot. Bonds5

About 6-pyrazol-1-yl-2-N-[1-(1,3-thiazol-2-yl)propyl]-1,3,5-triazine-2,4-diamine

6-pyrazol-1-yl-2-N-[1-(1,3-thiazol-2-yl)propyl]-1,3,5-triazine-2,4-diamine (PubChem CID 80824466) has the molecular formula C12H14N8S and a molecular weight of 302.37 g/mol. Its IUPAC name is 6-pyrazol-1-yl-2-N-[1-(1,3-thiazol-2-yl)propyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-pyrazol-1-yl-2-N-[1-(1,3-thiazol-2-yl)propyl]-1,3,5-triazine-2,4-diamine
PubChem CID80824466
Molecular FormulaC12H14N8S
Molecular Weight302.37 g/mol
Exact Mass302.11
IUPAC Name6-pyrazol-1-yl-2-N-[1-(1,3-thiazol-2-yl)propyl]-1,3,5-triazine-2,4-diamine
SMILESCCC(Nc1nc(N)nc(-n2cccn2)n1)c1nccs1
InChIInChI=1S/C12H14N8S/c1-2-8(9-14-5-7-21-9)16-11-17-10(13)18-12(19-11)20-6-3-4-15-20/h3-8H,2H2,1H3,(H3,13,16,17,18,19)
InChIKeyJUAUZTFFVSYIQU-UHFFFAOYSA-N
XLogP1.66
TPSA107.43 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-pyrazol-1-yl-2-N-[1-(1,3-thiazol-2-yl)propyl]-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80778918
2-N-(1-methoxypropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80784918
2-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80807311
[(1S)-1-(1,3-thiazol-2-yl)propyl]hydrazine
CID 124537574
5-N-[1-(1,3-thiazol-2-yl)propyl]-1,2,4-thiadiazole-3,5-diamine
CID 66279886
6-N-[1-(1,3-thiazol-2-yl)propyl]-7H-purine-2,6-diamine
CID 114785367
2-N-(1-imidazol-1-ylpropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80782682
6-pyrazol-1-yl-2-N-(2,3,3-trimethylbutyl)-1,3,5-triazine-2,4-diamine
CID 83146536
4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-4,6-diamine
CID 80837709
2-ethyl-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-4,6-diamine
CID 80941375
2-N-[2-(dimethylamino)ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80770186
2-N-[2-[ethyl(methyl)amino]ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80831923

Frequently Asked Questions

What is the IUPAC name of 6-pyrazol-1-yl-2-N-[1-(1,3-thiazol-2-yl)propyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-pyrazol-1-yl-2-N-[1-(1,3-thiazol-2-yl)propyl]-1,3,5-triazine-2,4-diamine (CID 80824466) is 6-pyrazol-1-yl-2-N-[1-(1,3-thiazol-2-yl)propyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-pyrazol-1-yl-2-N-[1-(1,3-thiazol-2-yl)propyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-pyrazol-1-yl-2-N-[1-(1,3-thiazol-2-yl)propyl]-1,3,5-triazine-2,4-diamine is CCC(Nc1nc(N)nc(-n2cccn2)n1)c1nccs1.
What is the InChIKey of 6-pyrazol-1-yl-2-N-[1-(1,3-thiazol-2-yl)propyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is JUAUZTFFVSYIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N8S/c1-2-8(9-14-5-7-21-9)16-11-17-10(13)18-12(19-11)20-6-3-4-15-20/h3-8H,2H2,1H3,(H3,13,16,17,18,19).
What are the key properties of 6-pyrazol-1-yl-2-N-[1-(1,3-thiazol-2-yl)propyl]-1,3,5-triazine-2,4-diamine?
6-pyrazol-1-yl-2-N-[1-(1,3-thiazol-2-yl)propyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 302.37 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrazol-1-yl-2-N-[1-(1,3-thiazol-2-yl)propyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80824466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).