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

C10H15N7 — CID 143605568

IUPAC7-N-cyclopentyl-2-methyltriazolo[4,5-d]pyrimidine-5,7-diamine
SMILESCn1nc2nc(N)nc(NC3CCCC3)c2n1
InChIInChI=1S/C10H15N7/c1-17-15-7-8(12-6-4-2-3-5-6)13-10(11)14-9(7)16-17/h6H,2-5H2,1H3,(H3,11,12,13,14,16)
InChIKeyDRDJOXGKTOSQBQ-UHFFFAOYSA-N
MW233.28 g/mol
LogP0.69
Rot. Bonds2

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

7-N-cyclopentyl-2-methyltriazolo[4,5-d]pyrimidine-5,7-diamine (PubChem CID 143605568) has the molecular formula C10H15N7 and a molecular weight of 233.28 g/mol. Its IUPAC name is 7-N-cyclopentyl-2-methyltriazolo[4,5-d]pyrimidine-5,7-diamine.

Molecular Properties

Compound Name7-N-cyclopentyl-2-methyltriazolo[4,5-d]pyrimidine-5,7-diamine
PubChem CID143605568
Molecular FormulaC10H15N7
Molecular Weight233.28 g/mol
Exact Mass233.14
IUPAC Name7-N-cyclopentyl-2-methyltriazolo[4,5-d]pyrimidine-5,7-diamine
SMILESCn1nc2nc(N)nc(NC3CCCC3)c2n1
InChIInChI=1S/C10H15N7/c1-17-15-7-8(12-6-4-2-3-5-6)13-10(11)14-9(7)16-17/h6H,2-5H2,1H3,(H3,11,12,13,14,16)
InChIKeyDRDJOXGKTOSQBQ-UHFFFAOYSA-N
XLogP0.69
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

7-N-cyclopentyl-2-propan-2-yltriazolo[4,5-d]pyrimidine-5,7-diamine
CID 59559188
2-[2-amino-6-(cyclohexylamino)purin-9-yl]-2-cyclopropylideneethanol
CID 68812403
[(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
6-N-cyclobutyl-7H-purine-2,6-diamine
CID 18430660
[(1R,4S)-4-[2-amino-6-(cyclooctylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol
CID 18646157
(2R,3R,4S,5R)-2-[2-amino-6-(cycloheptylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 10571693
9-[5-(aminomethyl)oxolan-2-yl]-6-N-cyclopropylpurine-2,6-diamine
CID 123996190
6-N-cyclopropyl-9-[2-(dimethylphosphorylmethoxy)ethyl]purine-2,6-diamine;9-[2-(dimethylphosphorylmethoxy)ethyl]-6-N-methylpurine-2,6-diamine
CID 90869359
(2S,4R,5R)-5-[2-amino-6-(cyclopentylamino)purin-9-yl]-2-methyl-4-nitrosohexan-1-ol
CID 88930269
(1S,2R,3R,5R)-5-[2-amino-6-(cyclopropylamino)purin-9-yl]-3-(hydroxymethyl)-1-methylcyclopentane-1,2-diol
CID 102392372
4-N-cyclooctylquinazoline-2,4-diamine
CID 80786546

Frequently Asked Questions

What is the IUPAC name of 7-N-cyclopentyl-2-methyltriazolo[4,5-d]pyrimidine-5,7-diamine?
The IUPAC name of 7-N-cyclopentyl-2-methyltriazolo[4,5-d]pyrimidine-5,7-diamine (CID 143605568) is 7-N-cyclopentyl-2-methyltriazolo[4,5-d]pyrimidine-5,7-diamine.
What is the SMILES notation for 7-N-cyclopentyl-2-methyltriazolo[4,5-d]pyrimidine-5,7-diamine?
The canonical SMILES for 7-N-cyclopentyl-2-methyltriazolo[4,5-d]pyrimidine-5,7-diamine is Cn1nc2nc(N)nc(NC3CCCC3)c2n1.
What is the InChIKey of 7-N-cyclopentyl-2-methyltriazolo[4,5-d]pyrimidine-5,7-diamine?
The InChIKey is DRDJOXGKTOSQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N7/c1-17-15-7-8(12-6-4-2-3-5-6)13-10(11)14-9(7)16-17/h6H,2-5H2,1H3,(H3,11,12,13,14,16).
What are the key properties of 7-N-cyclopentyl-2-methyltriazolo[4,5-d]pyrimidine-5,7-diamine?
7-N-cyclopentyl-2-methyltriazolo[4,5-d]pyrimidine-5,7-diamine has a molecular weight of 233.28 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-cyclopentyl-2-methyltriazolo[4,5-d]pyrimidine-5,7-diamine is sourced from PubChem (CID 143605568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).