3-(oxan-2-ylmethyl)-5-pyridin-3-yltriazolo[4,5-d]pyrimidin-7-amine

C15H17N7O — CID 70690971

IUPAC3-(oxan-2-ylmethyl)-5-pyridin-3-yltriazolo[4,5-d]pyrimidin-7-amine
SMILESNc1nc(-c2cccnc2)nc2c1nnn2CC1CCCCO1
InChIInChI=1S/C15H17N7O/c16-13-12-15(19-14(18-13)10-4-3-6-17-8-10)22(21-20-12)9-11-5-1-2-7-23-11/h3-4,6,8,11H,1-2,5,7,9H2,(H2,16,18,19)
InChIKeyLNQDYXWMZBRZTK-UHFFFAOYSA-N
MW311.35 g/mol
LogP1.43
Rot. Bonds3

About 3-(oxan-2-ylmethyl)-5-pyridin-3-yltriazolo[4,5-d]pyrimidin-7-amine

3-(oxan-2-ylmethyl)-5-pyridin-3-yltriazolo[4,5-d]pyrimidin-7-amine (PubChem CID 70690971) has the molecular formula C15H17N7O and a molecular weight of 311.35 g/mol. Its IUPAC name is 3-(oxan-2-ylmethyl)-5-pyridin-3-yltriazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(oxan-2-ylmethyl)-5-pyridin-3-yltriazolo[4,5-d]pyrimidin-7-amine
PubChem CID70690971
Molecular FormulaC15H17N7O
Molecular Weight311.35 g/mol
Exact Mass311.15
IUPAC Name3-(oxan-2-ylmethyl)-5-pyridin-3-yltriazolo[4,5-d]pyrimidin-7-amine
SMILESNc1nc(-c2cccnc2)nc2c1nnn2CC1CCCCO1
InChIInChI=1S/C15H17N7O/c16-13-12-15(19-14(18-13)10-4-3-6-17-8-10)22(21-20-12)9-11-5-1-2-7-23-11/h3-4,6,8,11H,1-2,5,7,9H2,(H2,16,18,19)
InChIKeyLNQDYXWMZBRZTK-UHFFFAOYSA-N
XLogP1.43
TPSA104.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(oxan-2-ylmethyl)-5-pyridin-3-yltriazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 3-(oxan-2-ylmethyl)-5-pyridin-3-yltriazolo[4,5-d]pyrimidin-7-amine (CID 70690971) is 3-(oxan-2-ylmethyl)-5-pyridin-3-yltriazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 3-(oxan-2-ylmethyl)-5-pyridin-3-yltriazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 3-(oxan-2-ylmethyl)-5-pyridin-3-yltriazolo[4,5-d]pyrimidin-7-amine is Nc1nc(-c2cccnc2)nc2c1nnn2CC1CCCCO1.
What is the InChIKey of 3-(oxan-2-ylmethyl)-5-pyridin-3-yltriazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is LNQDYXWMZBRZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O/c16-13-12-15(19-14(18-13)10-4-3-6-17-8-10)22(21-20-12)9-11-5-1-2-7-23-11/h3-4,6,8,11H,1-2,5,7,9H2,(H2,16,18,19).
What are the key properties of 3-(oxan-2-ylmethyl)-5-pyridin-3-yltriazolo[4,5-d]pyrimidin-7-amine?
3-(oxan-2-ylmethyl)-5-pyridin-3-yltriazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 311.35 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-2-ylmethyl)-5-pyridin-3-yltriazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 70690971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).