5-cyclopropyl-3-[(1-propan-2-ylpyrazol-4-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine

C14H18N8 — CID 70695149

IUPAC5-cyclopropyl-3-[(1-propan-2-ylpyrazol-4-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine
SMILESCC(C)n1cc(Cn2nnc3c(N)nc(C4CC4)nc32)cn1
InChIInChI=1S/C14H18N8/c1-8(2)21-6-9(5-16-21)7-22-14-11(19-20-22)12(15)17-13(18-14)10-3-4-10/h5-6,8,10H,3-4,7H2,1-2H3,(H2,15,17,18)
InChIKeyJZUBXNWAHKLLRC-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.51
Rot. Bonds4

About 5-cyclopropyl-3-[(1-propan-2-ylpyrazol-4-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine

5-cyclopropyl-3-[(1-propan-2-ylpyrazol-4-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine (PubChem CID 70695149) has the molecular formula C14H18N8 and a molecular weight of 298.35 g/mol. Its IUPAC name is 5-cyclopropyl-3-[(1-propan-2-ylpyrazol-4-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name5-cyclopropyl-3-[(1-propan-2-ylpyrazol-4-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine
PubChem CID70695149
Molecular FormulaC14H18N8
Molecular Weight298.35 g/mol
Exact Mass298.17
IUPAC Name5-cyclopropyl-3-[(1-propan-2-ylpyrazol-4-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine
SMILESCC(C)n1cc(Cn2nnc3c(N)nc(C4CC4)nc32)cn1
InChIInChI=1S/C14H18N8/c1-8(2)21-6-9(5-16-21)7-22-14-11(19-20-22)12(15)17-13(18-14)10-3-4-10/h5-6,8,10H,3-4,7H2,1-2H3,(H2,15,17,18)
InChIKeyJZUBXNWAHKLLRC-UHFFFAOYSA-N
XLogP1.51
TPSA100.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[(1-propan-2-ylpyrazol-4-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 5-cyclopropyl-3-[(1-propan-2-ylpyrazol-4-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine (CID 70695149) is 5-cyclopropyl-3-[(1-propan-2-ylpyrazol-4-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 5-cyclopropyl-3-[(1-propan-2-ylpyrazol-4-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 5-cyclopropyl-3-[(1-propan-2-ylpyrazol-4-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine is CC(C)n1cc(Cn2nnc3c(N)nc(C4CC4)nc32)cn1.
What is the InChIKey of 5-cyclopropyl-3-[(1-propan-2-ylpyrazol-4-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is JZUBXNWAHKLLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N8/c1-8(2)21-6-9(5-16-21)7-22-14-11(19-20-22)12(15)17-13(18-14)10-3-4-10/h5-6,8,10H,3-4,7H2,1-2H3,(H2,15,17,18).
What are the key properties of 5-cyclopropyl-3-[(1-propan-2-ylpyrazol-4-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine?
5-cyclopropyl-3-[(1-propan-2-ylpyrazol-4-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 298.35 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[(1-propan-2-ylpyrazol-4-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 70695149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).