3-ethyl-7-pyrrolidin-1-yltriazolo[4,5-d]pyrimidine

C10H14N6 — CID 7584316

IUPAC3-ethyl-7-pyrrolidin-1-yltriazolo[4,5-d]pyrimidine
SMILESCCn1nnc2c(N3CCCC3)ncnc21
InChIInChI=1S/C10H14N6/c1-2-16-10-8(13-14-16)9(11-7-12-10)15-5-3-4-6-15/h7H,2-6H2,1H3
InChIKeyXYZNDRXPNXRDBC-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.84
Rot. Bonds2

About 3-ethyl-7-pyrrolidin-1-yltriazolo[4,5-d]pyrimidine

3-ethyl-7-pyrrolidin-1-yltriazolo[4,5-d]pyrimidine (PubChem CID 7584316) has the molecular formula C10H14N6 and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-ethyl-7-pyrrolidin-1-yltriazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name3-ethyl-7-pyrrolidin-1-yltriazolo[4,5-d]pyrimidine
PubChem CID7584316
Molecular FormulaC10H14N6
Molecular Weight218.26 g/mol
Exact Mass218.13
IUPAC Name3-ethyl-7-pyrrolidin-1-yltriazolo[4,5-d]pyrimidine
SMILESCCn1nnc2c(N3CCCC3)ncnc21
InChIInChI=1S/C10H14N6/c1-2-16-10-8(13-14-16)9(11-7-12-10)15-5-3-4-6-15/h7H,2-6H2,1H3
InChIKeyXYZNDRXPNXRDBC-UHFFFAOYSA-N
XLogP0.84
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-pyrrolidin-1-yltriazolo[4,5-d]pyrimidine?
The IUPAC name of 3-ethyl-7-pyrrolidin-1-yltriazolo[4,5-d]pyrimidine (CID 7584316) is 3-ethyl-7-pyrrolidin-1-yltriazolo[4,5-d]pyrimidine.
What is the SMILES notation for 3-ethyl-7-pyrrolidin-1-yltriazolo[4,5-d]pyrimidine?
The canonical SMILES for 3-ethyl-7-pyrrolidin-1-yltriazolo[4,5-d]pyrimidine is CCn1nnc2c(N3CCCC3)ncnc21.
What is the InChIKey of 3-ethyl-7-pyrrolidin-1-yltriazolo[4,5-d]pyrimidine?
The InChIKey is XYZNDRXPNXRDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6/c1-2-16-10-8(13-14-16)9(11-7-12-10)15-5-3-4-6-15/h7H,2-6H2,1H3.
What are the key properties of 3-ethyl-7-pyrrolidin-1-yltriazolo[4,5-d]pyrimidine?
3-ethyl-7-pyrrolidin-1-yltriazolo[4,5-d]pyrimidine has a molecular weight of 218.26 g/mol, XLogP of 0.84, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-pyrrolidin-1-yltriazolo[4,5-d]pyrimidine is sourced from PubChem (CID 7584316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).