N-cyclopentyl-2-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine

C12H18N6 — CID 59559224

IUPACN-cyclopentyl-2-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine
SMILESCC(C)n1nc2ncnc(NC3CCCC3)c2n1
InChIInChI=1S/C12H18N6/c1-8(2)18-16-10-11(13-7-14-12(10)17-18)15-9-5-3-4-6-9/h7-9H,3-6H2,1-2H3,(H,13,14,15,17)
InChIKeyDZEWBMPXWHOVDR-UHFFFAOYSA-N
MW246.32 g/mol
LogP2.16
Rot. Bonds3

About N-cyclopentyl-2-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine

N-cyclopentyl-2-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine (PubChem CID 59559224) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is N-cyclopentyl-2-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-cyclopentyl-2-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine
PubChem CID59559224
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC NameN-cyclopentyl-2-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine
SMILESCC(C)n1nc2ncnc(NC3CCCC3)c2n1
InChIInChI=1S/C12H18N6/c1-8(2)18-16-10-11(13-7-14-12(10)17-18)15-9-5-3-4-6-9/h7-9H,3-6H2,1-2H3,(H,13,14,15,17)
InChIKeyDZEWBMPXWHOVDR-UHFFFAOYSA-N
XLogP2.16
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of N-cyclopentyl-2-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine (CID 59559224) is N-cyclopentyl-2-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for N-cyclopentyl-2-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for N-cyclopentyl-2-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine is CC(C)n1nc2ncnc(NC3CCCC3)c2n1.
What is the InChIKey of N-cyclopentyl-2-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is DZEWBMPXWHOVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-8(2)18-16-10-11(13-7-14-12(10)17-18)15-9-5-3-4-6-9/h7-9H,3-6H2,1-2H3,(H,13,14,15,17).
What are the key properties of N-cyclopentyl-2-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine?
N-cyclopentyl-2-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 246.32 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 59559224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).