N-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

C16H23N7 — CID 56901706

IUPACN-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)c1cc(NC(c2ncnn2C)C(C)C)n2nccc2n1
InChIInChI=1S/C16H23N7/c1-10(2)12-8-14(23-13(20-12)6-7-18-23)21-15(11(3)4)16-17-9-19-22(16)5/h6-11,15,21H,1-5H3
InChIKeyQYZLILQFEWZWEG-UHFFFAOYSA-N
MW313.41 g/mol
LogP2.79
Rot. Bonds5

About N-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

N-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56901706) has the molecular formula C16H23N7 and a molecular weight of 313.41 g/mol. Its IUPAC name is N-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID56901706
Molecular FormulaC16H23N7
Molecular Weight313.41 g/mol
Exact Mass313.20
IUPAC NameN-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)c1cc(NC(c2ncnn2C)C(C)C)n2nccc2n1
InChIInChI=1S/C16H23N7/c1-10(2)12-8-14(23-13(20-12)6-7-18-23)21-15(11(3)4)16-17-9-19-22(16)5/h6-11,15,21H,1-5H3
InChIKeyQYZLILQFEWZWEG-UHFFFAOYSA-N
XLogP2.79
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 56901706) is N-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is CC(C)c1cc(NC(c2ncnn2C)C(C)C)n2nccc2n1.
What is the InChIKey of N-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is QYZLILQFEWZWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7/c1-10(2)12-8-14(23-13(20-12)6-7-18-23)21-15(11(3)4)16-17-9-19-22(16)5/h6-11,15,21H,1-5H3.
What are the key properties of N-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
N-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 313.41 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56901706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).