3-ethyl-N-(2-methylpropyl)triazolo[4,5-d]pyrimidin-7-amine

C10H16N6 — CID 7584373

IUPAC3-ethyl-N-(2-methylpropyl)triazolo[4,5-d]pyrimidin-7-amine
SMILESCCn1nnc2c(NCC(C)C)ncnc21
InChIInChI=1S/C10H16N6/c1-4-16-10-8(14-15-16)9(12-6-13-10)11-5-7(2)3/h6-7H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyJESIYIKXVCBUKD-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.31
Rot. Bonds4

About 3-ethyl-N-(2-methylpropyl)triazolo[4,5-d]pyrimidin-7-amine

3-ethyl-N-(2-methylpropyl)triazolo[4,5-d]pyrimidin-7-amine (PubChem CID 7584373) has the molecular formula C10H16N6 and a molecular weight of 220.28 g/mol. Its IUPAC name is 3-ethyl-N-(2-methylpropyl)triazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name3-ethyl-N-(2-methylpropyl)triazolo[4,5-d]pyrimidin-7-amine
PubChem CID7584373
Molecular FormulaC10H16N6
Molecular Weight220.28 g/mol
Exact Mass220.14
IUPAC Name3-ethyl-N-(2-methylpropyl)triazolo[4,5-d]pyrimidin-7-amine
SMILESCCn1nnc2c(NCC(C)C)ncnc21
InChIInChI=1S/C10H16N6/c1-4-16-10-8(14-15-16)9(12-6-13-10)11-5-7(2)3/h6-7H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyJESIYIKXVCBUKD-UHFFFAOYSA-N
XLogP1.31
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(2-methylpropyl)triazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 3-ethyl-N-(2-methylpropyl)triazolo[4,5-d]pyrimidin-7-amine (CID 7584373) is 3-ethyl-N-(2-methylpropyl)triazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 3-ethyl-N-(2-methylpropyl)triazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 3-ethyl-N-(2-methylpropyl)triazolo[4,5-d]pyrimidin-7-amine is CCn1nnc2c(NCC(C)C)ncnc21.
What is the InChIKey of 3-ethyl-N-(2-methylpropyl)triazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is JESIYIKXVCBUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6/c1-4-16-10-8(14-15-16)9(12-6-13-10)11-5-7(2)3/h6-7H,4-5H2,1-3H3,(H,11,12,13).
What are the key properties of 3-ethyl-N-(2-methylpropyl)triazolo[4,5-d]pyrimidin-7-amine?
3-ethyl-N-(2-methylpropyl)triazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 220.28 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(2-methylpropyl)triazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 7584373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).