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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Related Compounds

7-N-cyclopentyl-2-methyltriazolo[4,5-d]pyrimidine-5,7-diamine
CID 143605568
N-cyclopentyl-2-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine
CID 59559224
4-N-cyclooctylquinazoline-2,4-diamine
CID 80786546
3-N-cyclohexyl-1-propan-2-ylpyrazole-3,4-diamine;dihydrochloride
CID 102565601
(2S,4R,5R)-5-[2-amino-6-(cyclopentylamino)purin-9-yl]-2-methyl-4-nitrosohexan-1-ol
CID 88930269
6-N-cyclobutyl-7H-purine-2,6-diamine
CID 18430660
2-[2-amino-6-(cyclohexylamino)purin-9-yl]-2-cyclopropylideneethanol
CID 68812403
4-N-cyclohexyl-6,7-dimethoxyquinazoline-2,4-diamine
CID 57342963
[(2S,5R)-5-[2-amino-6-(cyclohexylamino)purin-9-yl]oxolan-2-yl]methanol
CID 56967848
(3R,4S,5R)-2-[2-amino-6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 46874172
(2R,3R,4S,5R)-2-[2-amino-6-(cycloheptylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 10571693
[(1R,4S)-4-[2-amino-6-(cyclooctylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol
CID 18646157

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).