5-cyclopropyl-3-(oxan-3-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine

C13H18N6O — CID 70693101

IUPAC5-cyclopropyl-3-(oxan-3-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine
SMILESNc1nc(C2CC2)nc2c1nnn2CC1CCCOC1
InChIInChI=1S/C13H18N6O/c14-11-10-13(16-12(15-11)9-3-4-9)19(18-17-10)6-8-2-1-5-20-7-8/h8-9H,1-7H2,(H2,14,15,16)
InChIKeyYRRVQFVQWONDTC-UHFFFAOYSA-N
MW274.33 g/mol
LogP1.11
Rot. Bonds3

About 5-cyclopropyl-3-(oxan-3-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine

5-cyclopropyl-3-(oxan-3-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine (PubChem CID 70693101) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 5-cyclopropyl-3-(oxan-3-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name5-cyclopropyl-3-(oxan-3-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine
PubChem CID70693101
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name5-cyclopropyl-3-(oxan-3-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine
SMILESNc1nc(C2CC2)nc2c1nnn2CC1CCCOC1
InChIInChI=1S/C13H18N6O/c14-11-10-13(16-12(15-11)9-3-4-9)19(18-17-10)6-8-2-1-5-20-7-8/h8-9H,1-7H2,(H2,14,15,16)
InChIKeyYRRVQFVQWONDTC-UHFFFAOYSA-N
XLogP1.11
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-(oxan-3-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 5-cyclopropyl-3-(oxan-3-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine (CID 70693101) is 5-cyclopropyl-3-(oxan-3-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 5-cyclopropyl-3-(oxan-3-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 5-cyclopropyl-3-(oxan-3-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine is Nc1nc(C2CC2)nc2c1nnn2CC1CCCOC1.
What is the InChIKey of 5-cyclopropyl-3-(oxan-3-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is YRRVQFVQWONDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c14-11-10-13(16-12(15-11)9-3-4-9)19(18-17-10)6-8-2-1-5-20-7-8/h8-9H,1-7H2,(H2,14,15,16).
What are the key properties of 5-cyclopropyl-3-(oxan-3-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine?
5-cyclopropyl-3-(oxan-3-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 274.33 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-(oxan-3-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 70693101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).