4-(5-amino-4-cyclohexyl-3-propan-2-ylpyrazol-1-yl)-6-pyridin-2-yl-1,3,5-triazin-2-amine

C20H26N8 — CID 91800701

IUPAC4-(5-amino-4-cyclohexyl-3-propan-2-ylpyrazol-1-yl)-6-pyridin-2-yl-1,3,5-triazin-2-amine
SMILESCC(C)c1nn(-c2nc(N)nc(-c3ccccn3)n2)c(N)c1C1CCCCC1
InChIInChI=1S/C20H26N8/c1-12(2)16-15(13-8-4-3-5-9-13)17(21)28(27-16)20-25-18(24-19(22)26-20)14-10-6-7-11-23-14/h6-7,10-13H,3-5,8-9,21H2,1-2H3,(H2,22,24,25,26)
InChIKeyMNQIVQDBRKXHEM-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.45
Rot. Bonds4

About 4-(5-amino-4-cyclohexyl-3-propan-2-ylpyrazol-1-yl)-6-pyridin-2-yl-1,3,5-triazin-2-amine

4-(5-amino-4-cyclohexyl-3-propan-2-ylpyrazol-1-yl)-6-pyridin-2-yl-1,3,5-triazin-2-amine (PubChem CID 91800701) has the molecular formula C20H26N8 and a molecular weight of 378.48 g/mol. Its IUPAC name is 4-(5-amino-4-cyclohexyl-3-propan-2-ylpyrazol-1-yl)-6-pyridin-2-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(5-amino-4-cyclohexyl-3-propan-2-ylpyrazol-1-yl)-6-pyridin-2-yl-1,3,5-triazin-2-amine
PubChem CID91800701
Molecular FormulaC20H26N8
Molecular Weight378.48 g/mol
Exact Mass378.23
IUPAC Name4-(5-amino-4-cyclohexyl-3-propan-2-ylpyrazol-1-yl)-6-pyridin-2-yl-1,3,5-triazin-2-amine
SMILESCC(C)c1nn(-c2nc(N)nc(-c3ccccn3)n2)c(N)c1C1CCCCC1
InChIInChI=1S/C20H26N8/c1-12(2)16-15(13-8-4-3-5-9-13)17(21)28(27-16)20-25-18(24-19(22)26-20)14-10-6-7-11-23-14/h6-7,10-13H,3-5,8-9,21H2,1-2H3,(H2,22,24,25,26)
InChIKeyMNQIVQDBRKXHEM-UHFFFAOYSA-N
XLogP3.45
TPSA121.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-4-cyclohexyl-3-propan-2-ylpyrazol-1-yl)-6-pyridin-2-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(5-amino-4-cyclohexyl-3-propan-2-ylpyrazol-1-yl)-6-pyridin-2-yl-1,3,5-triazin-2-amine (CID 91800701) is 4-(5-amino-4-cyclohexyl-3-propan-2-ylpyrazol-1-yl)-6-pyridin-2-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(5-amino-4-cyclohexyl-3-propan-2-ylpyrazol-1-yl)-6-pyridin-2-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(5-amino-4-cyclohexyl-3-propan-2-ylpyrazol-1-yl)-6-pyridin-2-yl-1,3,5-triazin-2-amine is CC(C)c1nn(-c2nc(N)nc(-c3ccccn3)n2)c(N)c1C1CCCCC1.
What is the InChIKey of 4-(5-amino-4-cyclohexyl-3-propan-2-ylpyrazol-1-yl)-6-pyridin-2-yl-1,3,5-triazin-2-amine?
The InChIKey is MNQIVQDBRKXHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N8/c1-12(2)16-15(13-8-4-3-5-9-13)17(21)28(27-16)20-25-18(24-19(22)26-20)14-10-6-7-11-23-14/h6-7,10-13H,3-5,8-9,21H2,1-2H3,(H2,22,24,25,26).
What are the key properties of 4-(5-amino-4-cyclohexyl-3-propan-2-ylpyrazol-1-yl)-6-pyridin-2-yl-1,3,5-triazin-2-amine?
4-(5-amino-4-cyclohexyl-3-propan-2-ylpyrazol-1-yl)-6-pyridin-2-yl-1,3,5-triazin-2-amine has a molecular weight of 378.48 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-4-cyclohexyl-3-propan-2-ylpyrazol-1-yl)-6-pyridin-2-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 91800701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).