5-cyclopropyl-3-[2-(1-methylpyrazol-4-yl)ethyl]triazolo[4,5-d]pyrimidin-7-amine

C13H16N8 — CID 70686818

IUPAC5-cyclopropyl-3-[2-(1-methylpyrazol-4-yl)ethyl]triazolo[4,5-d]pyrimidin-7-amine
SMILESCn1cc(CCn2nnc3c(N)nc(C4CC4)nc32)cn1
InChIInChI=1S/C13H16N8/c1-20-7-8(6-15-20)4-5-21-13-10(18-19-21)11(14)16-12(17-13)9-2-3-9/h6-7,9H,2-5H2,1H3,(H2,14,16,17)
InChIKeyCEWAOXZCZRNAPF-UHFFFAOYSA-N
MW284.33 g/mol
LogP0.66
Rot. Bonds4

About 5-cyclopropyl-3-[2-(1-methylpyrazol-4-yl)ethyl]triazolo[4,5-d]pyrimidin-7-amine

5-cyclopropyl-3-[2-(1-methylpyrazol-4-yl)ethyl]triazolo[4,5-d]pyrimidin-7-amine (PubChem CID 70686818) has the molecular formula C13H16N8 and a molecular weight of 284.33 g/mol. Its IUPAC name is 5-cyclopropyl-3-[2-(1-methylpyrazol-4-yl)ethyl]triazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name5-cyclopropyl-3-[2-(1-methylpyrazol-4-yl)ethyl]triazolo[4,5-d]pyrimidin-7-amine
PubChem CID70686818
Molecular FormulaC13H16N8
Molecular Weight284.33 g/mol
Exact Mass284.15
IUPAC Name5-cyclopropyl-3-[2-(1-methylpyrazol-4-yl)ethyl]triazolo[4,5-d]pyrimidin-7-amine
SMILESCn1cc(CCn2nnc3c(N)nc(C4CC4)nc32)cn1
InChIInChI=1S/C13H16N8/c1-20-7-8(6-15-20)4-5-21-13-10(18-19-21)11(14)16-12(17-13)9-2-3-9/h6-7,9H,2-5H2,1H3,(H2,14,16,17)
InChIKeyCEWAOXZCZRNAPF-UHFFFAOYSA-N
XLogP0.66
TPSA100.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[2-(1-methylpyrazol-4-yl)ethyl]triazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 5-cyclopropyl-3-[2-(1-methylpyrazol-4-yl)ethyl]triazolo[4,5-d]pyrimidin-7-amine (CID 70686818) is 5-cyclopropyl-3-[2-(1-methylpyrazol-4-yl)ethyl]triazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 5-cyclopropyl-3-[2-(1-methylpyrazol-4-yl)ethyl]triazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 5-cyclopropyl-3-[2-(1-methylpyrazol-4-yl)ethyl]triazolo[4,5-d]pyrimidin-7-amine is Cn1cc(CCn2nnc3c(N)nc(C4CC4)nc32)cn1.
What is the InChIKey of 5-cyclopropyl-3-[2-(1-methylpyrazol-4-yl)ethyl]triazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is CEWAOXZCZRNAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N8/c1-20-7-8(6-15-20)4-5-21-13-10(18-19-21)11(14)16-12(17-13)9-2-3-9/h6-7,9H,2-5H2,1H3,(H2,14,16,17).
What are the key properties of 5-cyclopropyl-3-[2-(1-methylpyrazol-4-yl)ethyl]triazolo[4,5-d]pyrimidin-7-amine?
5-cyclopropyl-3-[2-(1-methylpyrazol-4-yl)ethyl]triazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 284.33 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[2-(1-methylpyrazol-4-yl)ethyl]triazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 70686818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).