4-[(1-propylimidazol-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine

C13H16N8 — CID 79734742

IUPAC4-[(1-propylimidazol-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCCCn1ccnc1Cc1nc(N)nc(-n2cccn2)n1
InChIInChI=1S/C13H16N8/c1-2-6-20-8-5-15-11(20)9-10-17-12(14)19-13(18-10)21-7-3-4-16-21/h3-5,7-8H,2,6,9H2,1H3,(H2,14,17,18,19)
InChIKeyVOXJDSIWQVFFHG-UHFFFAOYSA-N
MW284.33 g/mol
LogP0.84
Rot. Bonds5

About 4-[(1-propylimidazol-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine

4-[(1-propylimidazol-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 79734742) has the molecular formula C13H16N8 and a molecular weight of 284.33 g/mol. Its IUPAC name is 4-[(1-propylimidazol-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[(1-propylimidazol-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine
PubChem CID79734742
Molecular FormulaC13H16N8
Molecular Weight284.33 g/mol
Exact Mass284.15
IUPAC Name4-[(1-propylimidazol-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCCCn1ccnc1Cc1nc(N)nc(-n2cccn2)n1
InChIInChI=1S/C13H16N8/c1-2-6-20-8-5-15-11(20)9-10-17-12(14)19-13(18-10)21-7-3-4-16-21/h3-5,7-8H,2,6,9H2,1H3,(H2,14,17,18,19)
InChIKeyVOXJDSIWQVFFHG-UHFFFAOYSA-N
XLogP0.84
TPSA100.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-propan-2-yloxy-6-[(1-propylimidazol-2-yl)methyl]-1,3,5-triazin-2-amine
CID 79738576
4-heptoxy-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80862326
4-(2-methylimidazol-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80854151
5-ethyl-6-[(1-propylimidazol-2-yl)methyl]pyrimidin-4-amine
CID 79738670
2-ethyl-5-methyl-6-[(1-propylimidazol-2-yl)methyl]pyrimidin-4-amine
CID 80976153
4-(2-butoxyethoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80861779
4-ethoxy-N-ethyl-6-[(1-propylimidazol-2-yl)methyl]-1,3,5-triazin-2-amine
CID 79733828
N-[(1-propylimidazol-2-yl)methyl]-4-pyrazol-1-ylaniline
CID 62957014
3-methyl-5-[(1-propylimidazol-2-yl)methyl]pyridin-2-amine
CID 83170955
4-N-butan-2-yl-4-N-methyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80775574
3-fluoro-4-[(1-propylimidazol-2-yl)methyl]aniline
CID 79737831
4-chloro-2-propyl-6-[(1-propylimidazol-2-yl)methyl]pyrimidine
CID 80945789

Frequently Asked Questions

What is the IUPAC name of 4-[(1-propylimidazol-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[(1-propylimidazol-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine (CID 79734742) is 4-[(1-propylimidazol-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[(1-propylimidazol-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[(1-propylimidazol-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine is CCCn1ccnc1Cc1nc(N)nc(-n2cccn2)n1.
What is the InChIKey of 4-[(1-propylimidazol-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is VOXJDSIWQVFFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N8/c1-2-6-20-8-5-15-11(20)9-10-17-12(14)19-13(18-10)21-7-3-4-16-21/h3-5,7-8H,2,6,9H2,1H3,(H2,14,17,18,19).
What are the key properties of 4-[(1-propylimidazol-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
4-[(1-propylimidazol-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 284.33 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-propylimidazol-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 79734742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).