7-N-cyclopentyl-2-propan-2-yltriazolo[4,5-d]pyrimidine-5,7-diamine

C12H19N7 — CID 59559188

IUPAC7-N-cyclopentyl-2-propan-2-yltriazolo[4,5-d]pyrimidine-5,7-diamine
SMILESCC(C)n1nc2nc(N)nc(NC3CCCC3)c2n1
InChIInChI=1S/C12H19N7/c1-7(2)19-17-9-10(14-8-5-3-4-6-8)15-12(13)16-11(9)18-19/h7-8H,3-6H2,1-2H3,(H3,13,14,15,16,18)
InChIKeyDGBDGNSLIHKROS-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.74
Rot. Bonds3

About 7-N-cyclopentyl-2-propan-2-yltriazolo[4,5-d]pyrimidine-5,7-diamine

7-N-cyclopentyl-2-propan-2-yltriazolo[4,5-d]pyrimidine-5,7-diamine (PubChem CID 59559188) has the molecular formula C12H19N7 and a molecular weight of 261.33 g/mol. Its IUPAC name is 7-N-cyclopentyl-2-propan-2-yltriazolo[4,5-d]pyrimidine-5,7-diamine.

Molecular Properties

Compound Name7-N-cyclopentyl-2-propan-2-yltriazolo[4,5-d]pyrimidine-5,7-diamine
PubChem CID59559188
Molecular FormulaC12H19N7
Molecular Weight261.33 g/mol
Exact Mass261.17
IUPAC Name7-N-cyclopentyl-2-propan-2-yltriazolo[4,5-d]pyrimidine-5,7-diamine
SMILESCC(C)n1nc2nc(N)nc(NC3CCCC3)c2n1
InChIInChI=1S/C12H19N7/c1-7(2)19-17-9-10(14-8-5-3-4-6-8)15-12(13)16-11(9)18-19/h7-8H,3-6H2,1-2H3,(H3,13,14,15,16,18)
InChIKeyDGBDGNSLIHKROS-UHFFFAOYSA-N
XLogP1.74
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-N-cyclopentyl-2-propan-2-yltriazolo[4,5-d]pyrimidine-5,7-diamine?
The IUPAC name of 7-N-cyclopentyl-2-propan-2-yltriazolo[4,5-d]pyrimidine-5,7-diamine (CID 59559188) is 7-N-cyclopentyl-2-propan-2-yltriazolo[4,5-d]pyrimidine-5,7-diamine.
What is the SMILES notation for 7-N-cyclopentyl-2-propan-2-yltriazolo[4,5-d]pyrimidine-5,7-diamine?
The canonical SMILES for 7-N-cyclopentyl-2-propan-2-yltriazolo[4,5-d]pyrimidine-5,7-diamine is CC(C)n1nc2nc(N)nc(NC3CCCC3)c2n1.
What is the InChIKey of 7-N-cyclopentyl-2-propan-2-yltriazolo[4,5-d]pyrimidine-5,7-diamine?
The InChIKey is DGBDGNSLIHKROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7/c1-7(2)19-17-9-10(14-8-5-3-4-6-8)15-12(13)16-11(9)18-19/h7-8H,3-6H2,1-2H3,(H3,13,14,15,16,18).
What are the key properties of 7-N-cyclopentyl-2-propan-2-yltriazolo[4,5-d]pyrimidine-5,7-diamine?
7-N-cyclopentyl-2-propan-2-yltriazolo[4,5-d]pyrimidine-5,7-diamine has a molecular weight of 261.33 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-cyclopentyl-2-propan-2-yltriazolo[4,5-d]pyrimidine-5,7-diamine is sourced from PubChem (CID 59559188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).