2-[(1-pyrrolidin-3-yltriazol-4-yl)methoxy]pyrimidine

C11H14N6O — CID 176515387

IUPAC2-[(1-pyrrolidin-3-yltriazol-4-yl)methoxy]pyrimidine
SMILESc1cnc(OCc2cn(C3CCNC3)nn2)nc1
InChIInChI=1S/C11H14N6O/c1-3-13-11(14-4-1)18-8-9-7-17(16-15-9)10-2-5-12-6-10/h1,3-4,7,10,12H,2,5-6,8H2
InChIKeyZWSONUNYPSQSBN-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.18
Rot. Bonds4

About 2-[(1-pyrrolidin-3-yltriazol-4-yl)methoxy]pyrimidine

2-[(1-pyrrolidin-3-yltriazol-4-yl)methoxy]pyrimidine (PubChem CID 176515387) has the molecular formula C11H14N6O and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-[(1-pyrrolidin-3-yltriazol-4-yl)methoxy]pyrimidine.

Molecular Properties

Compound Name2-[(1-pyrrolidin-3-yltriazol-4-yl)methoxy]pyrimidine
PubChem CID176515387
Molecular FormulaC11H14N6O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC Name2-[(1-pyrrolidin-3-yltriazol-4-yl)methoxy]pyrimidine
SMILESc1cnc(OCc2cn(C3CCNC3)nn2)nc1
InChIInChI=1S/C11H14N6O/c1-3-13-11(14-4-1)18-8-9-7-17(16-15-9)10-2-5-12-6-10/h1,3-4,7,10,12H,2,5-6,8H2
InChIKeyZWSONUNYPSQSBN-UHFFFAOYSA-N
XLogP0.18
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-pyrrolidin-3-yltriazol-4-yl)methoxy]pyrimidine?
The IUPAC name of 2-[(1-pyrrolidin-3-yltriazol-4-yl)methoxy]pyrimidine (CID 176515387) is 2-[(1-pyrrolidin-3-yltriazol-4-yl)methoxy]pyrimidine.
What is the SMILES notation for 2-[(1-pyrrolidin-3-yltriazol-4-yl)methoxy]pyrimidine?
The canonical SMILES for 2-[(1-pyrrolidin-3-yltriazol-4-yl)methoxy]pyrimidine is c1cnc(OCc2cn(C3CCNC3)nn2)nc1.
What is the InChIKey of 2-[(1-pyrrolidin-3-yltriazol-4-yl)methoxy]pyrimidine?
The InChIKey is ZWSONUNYPSQSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O/c1-3-13-11(14-4-1)18-8-9-7-17(16-15-9)10-2-5-12-6-10/h1,3-4,7,10,12H,2,5-6,8H2.
What are the key properties of 2-[(1-pyrrolidin-3-yltriazol-4-yl)methoxy]pyrimidine?
2-[(1-pyrrolidin-3-yltriazol-4-yl)methoxy]pyrimidine has a molecular weight of 246.27 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-pyrrolidin-3-yltriazol-4-yl)methoxy]pyrimidine is sourced from PubChem (CID 176515387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).