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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Related Compounds

7-N-cyclopentyl-2-propan-2-yltriazolo[4,5-d]pyrimidine-5,7-diamine
CID 59559188
6-N-cycloheptyl-4-N-propan-2-ylpyrimidine-4,5,6-triamine
CID 19135719
3-N-cyclohexyl-1-propan-2-ylpyrazole-3,4-diamine;dihydrochloride
CID 102565601
6-N-cycloheptyl-4-N-cyclopentylpyrimidine-4,5,6-triamine
CID 19153951
4-N-cyclopentyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455194
N-cycloheptyl-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686255
N-cyclobutyl-5-fluoro-6-methylpyrimidin-4-amine
CID 103650743
N-cyclododecylpyrido[2,3-d]pyrimidin-4-amine
CID 110432349
N-cyclopropyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 130698432
N-cyclobutyl-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
CID 172901042
4-N-cyclopentyl-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80770351
3-(cycloheptylamino)-1-propan-2-ylpyrazin-2-one
CID 62939319

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).