7-(3,3-difluoropyrrolidin-1-yl)-N-ethyl-2H-triazolo[4,5-d]pyrimidin-5-amine

C10H13F2N7 — CID 150173008

IUPAC7-(3,3-difluoropyrrolidin-1-yl)-N-ethyl-2H-triazolo[4,5-d]pyrimidin-5-amine
SMILESCCNc1nc(N2CCC(F)(F)C2)c2n[nH]nc2n1
InChIInChI=1S/C10H13F2N7/c1-2-13-9-14-7-6(16-18-17-7)8(15-9)19-4-3-10(11,12)5-19/h2-5H2,1H3,(H2,13,14,15,16,17,18)
InChIKeyFJVDACCHFYAPKK-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.03
Rot. Bonds3

About 7-(3,3-difluoropyrrolidin-1-yl)-N-ethyl-2H-triazolo[4,5-d]pyrimidin-5-amine

7-(3,3-difluoropyrrolidin-1-yl)-N-ethyl-2H-triazolo[4,5-d]pyrimidin-5-amine (PubChem CID 150173008) has the molecular formula C10H13F2N7 and a molecular weight of 269.26 g/mol. Its IUPAC name is 7-(3,3-difluoropyrrolidin-1-yl)-N-ethyl-2H-triazolo[4,5-d]pyrimidin-5-amine.

Molecular Properties

Compound Name7-(3,3-difluoropyrrolidin-1-yl)-N-ethyl-2H-triazolo[4,5-d]pyrimidin-5-amine
PubChem CID150173008
Molecular FormulaC10H13F2N7
Molecular Weight269.26 g/mol
Exact Mass269.12
IUPAC Name7-(3,3-difluoropyrrolidin-1-yl)-N-ethyl-2H-triazolo[4,5-d]pyrimidin-5-amine
SMILESCCNc1nc(N2CCC(F)(F)C2)c2n[nH]nc2n1
InChIInChI=1S/C10H13F2N7/c1-2-13-9-14-7-6(16-18-17-7)8(15-9)19-4-3-10(11,12)5-19/h2-5H2,1H3,(H2,13,14,15,16,17,18)
InChIKeyFJVDACCHFYAPKK-UHFFFAOYSA-N
XLogP1.03
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-(3,3-difluoropyrrolidin-1-yl)-N-ethyl-2H-triazolo[4,5-d]pyrimidin-5-amine with MolForge

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Related Compounds

3-methyl-N-(2-methylpropyl)triazolo[4,5-d]pyrimidin-7-amine
CID 7424116
N-tert-butyl-6-(3,3-difluoropyrrolidin-1-yl)-9-(3,3,3-trifluoropropyl)purin-2-amine
CID 117678873
US9593123, Example 75
CID 117941449
US9593123, Example 25
CID 121395525
n,3-Diethyl-3h-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine
CID 237113
N-butyl-3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine
CID 7424115
2,8-dimethyl-9-propyl-N-(2-pyrrolidin-1-ylethyl)purin-6-amine
CID 6605178
9-ethyl-N-(2H-tetrazol-5-yl)purin-6-amine
CID 76309688
9-propyl-N-(2H-tetrazol-5-yl)purin-6-amine
CID 76320607
9-propan-2-yl-N-(2H-tetrazol-5-yl)purin-6-amine
CID 76331486
N-ethyl-3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine
CID 7424113
5-(4-methylpiperidin-1-yl)-7-(pyrrolidin-1-yl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine
CID 52907554

Frequently Asked Questions

What is the IUPAC name of 7-(3,3-difluoropyrrolidin-1-yl)-N-ethyl-2H-triazolo[4,5-d]pyrimidin-5-amine?
The IUPAC name of 7-(3,3-difluoropyrrolidin-1-yl)-N-ethyl-2H-triazolo[4,5-d]pyrimidin-5-amine (CID 150173008) is 7-(3,3-difluoropyrrolidin-1-yl)-N-ethyl-2H-triazolo[4,5-d]pyrimidin-5-amine.
What is the SMILES notation for 7-(3,3-difluoropyrrolidin-1-yl)-N-ethyl-2H-triazolo[4,5-d]pyrimidin-5-amine?
The canonical SMILES for 7-(3,3-difluoropyrrolidin-1-yl)-N-ethyl-2H-triazolo[4,5-d]pyrimidin-5-amine is CCNc1nc(N2CCC(F)(F)C2)c2n[nH]nc2n1.
What is the InChIKey of 7-(3,3-difluoropyrrolidin-1-yl)-N-ethyl-2H-triazolo[4,5-d]pyrimidin-5-amine?
The InChIKey is FJVDACCHFYAPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N7/c1-2-13-9-14-7-6(16-18-17-7)8(15-9)19-4-3-10(11,12)5-19/h2-5H2,1H3,(H2,13,14,15,16,17,18).
What are the key properties of 7-(3,3-difluoropyrrolidin-1-yl)-N-ethyl-2H-triazolo[4,5-d]pyrimidin-5-amine?
7-(3,3-difluoropyrrolidin-1-yl)-N-ethyl-2H-triazolo[4,5-d]pyrimidin-5-amine has a molecular weight of 269.26 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,3-difluoropyrrolidin-1-yl)-N-ethyl-2H-triazolo[4,5-d]pyrimidin-5-amine is sourced from PubChem (CID 150173008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).