N-pentan-3-yl-3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine

C12H20N6 — CID 138052887

IUPACN-pentan-3-yl-3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine
SMILESCCC(CC)Nc1ncnc2c1nnn2C(C)C
InChIInChI=1S/C12H20N6/c1-5-9(6-2)15-11-10-12(14-7-13-11)18(8(3)4)17-16-10/h7-9H,5-6H2,1-4H3,(H,13,14,15)
InChIKeyKFYGTUKEAGUENR-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.40
Rot. Bonds5

About N-pentan-3-yl-3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine

N-pentan-3-yl-3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine (PubChem CID 138052887) has the molecular formula C12H20N6 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-pentan-3-yl-3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-pentan-3-yl-3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine
PubChem CID138052887
Molecular FormulaC12H20N6
Molecular Weight248.33 g/mol
Exact Mass248.17
IUPAC NameN-pentan-3-yl-3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine
SMILESCCC(CC)Nc1ncnc2c1nnn2C(C)C
InChIInChI=1S/C12H20N6/c1-5-9(6-2)15-11-10-12(14-7-13-11)18(8(3)4)17-16-10/h7-9H,5-6H2,1-4H3,(H,13,14,15)
InChIKeyKFYGTUKEAGUENR-UHFFFAOYSA-N
XLogP2.40
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-pentan-3-yl-3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of N-pentan-3-yl-3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine (CID 138052887) is N-pentan-3-yl-3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for N-pentan-3-yl-3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for N-pentan-3-yl-3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine is CCC(CC)Nc1ncnc2c1nnn2C(C)C.
What is the InChIKey of N-pentan-3-yl-3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is KFYGTUKEAGUENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6/c1-5-9(6-2)15-11-10-12(14-7-13-11)18(8(3)4)17-16-10/h7-9H,5-6H2,1-4H3,(H,13,14,15).
What are the key properties of N-pentan-3-yl-3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine?
N-pentan-3-yl-3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 248.33 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-yl-3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 138052887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).