3-(4-methoxyphenyl)-N-[(3R)-pyrrolidin-3-yl]triazolo[4,5-d]pyrimidin-5-amine;hydrochloride

C15H18ClN7O — CID 90390001

IUPAC3-(4-methoxyphenyl)-N-[(3R)-pyrrolidin-3-yl]triazolo[4,5-d]pyrimidin-5-amine;hydrochloride
SMILESCOc1ccc(-n2nnc3cnc(N[C@@H]4CCNC4)nc32)cc1.Cl
InChIInChI=1S/C15H17N7O.ClH/c1-23-12-4-2-11(3-5-12)22-14-13(20-21-22)9-17-15(19-14)18-10-6-7-16-8-10;/h2-5,9-10,16H,6-8H2,1H3,(H,17,18,19);1H/t10-;/m1./s1
InChIKeyVJCWAPMVJMBBAC-HNCPQSOCSA-N
MW347.81 g/mol
LogP1.41
Rot. Bonds4

About 3-(4-methoxyphenyl)-N-[(3R)-pyrrolidin-3-yl]triazolo[4,5-d]pyrimidin-5-amine;hydrochloride

3-(4-methoxyphenyl)-N-[(3R)-pyrrolidin-3-yl]triazolo[4,5-d]pyrimidin-5-amine;hydrochloride (PubChem CID 90390001) has the molecular formula C15H18ClN7O and a molecular weight of 347.81 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[(3R)-pyrrolidin-3-yl]triazolo[4,5-d]pyrimidin-5-amine;hydrochloride.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[(3R)-pyrrolidin-3-yl]triazolo[4,5-d]pyrimidin-5-amine;hydrochloride
PubChem CID90390001
Molecular FormulaC15H18ClN7O
Molecular Weight347.81 g/mol
Exact Mass347.13
IUPAC Name3-(4-methoxyphenyl)-N-[(3R)-pyrrolidin-3-yl]triazolo[4,5-d]pyrimidin-5-amine;hydrochloride
SMILESCOc1ccc(-n2nnc3cnc(N[C@@H]4CCNC4)nc32)cc1.Cl
InChIInChI=1S/C15H17N7O.ClH/c1-23-12-4-2-11(3-5-12)22-14-13(20-21-22)9-17-15(19-14)18-10-6-7-16-8-10;/h2-5,9-10,16H,6-8H2,1H3,(H,17,18,19);1H/t10-;/m1./s1
InChIKeyVJCWAPMVJMBBAC-HNCPQSOCSA-N
XLogP1.41
TPSA89.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.81
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-(4-methoxyphenyl)-N-[(3R)-pyrrolidin-3-yl]triazolo[4,5-d]pyrimidin-5-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[(3R)-pyrrolidin-3-yl]triazolo[4,5-d]pyrimidin-5-amine;hydrochloride?
The IUPAC name of 3-(4-methoxyphenyl)-N-[(3R)-pyrrolidin-3-yl]triazolo[4,5-d]pyrimidin-5-amine;hydrochloride (CID 90390001) is 3-(4-methoxyphenyl)-N-[(3R)-pyrrolidin-3-yl]triazolo[4,5-d]pyrimidin-5-amine;hydrochloride.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[(3R)-pyrrolidin-3-yl]triazolo[4,5-d]pyrimidin-5-amine;hydrochloride?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[(3R)-pyrrolidin-3-yl]triazolo[4,5-d]pyrimidin-5-amine;hydrochloride is COc1ccc(-n2nnc3cnc(N[C@@H]4CCNC4)nc32)cc1.Cl.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[(3R)-pyrrolidin-3-yl]triazolo[4,5-d]pyrimidin-5-amine;hydrochloride?
The InChIKey is VJCWAPMVJMBBAC-HNCPQSOCSA-N. The full InChI is InChI=1S/C15H17N7O.ClH/c1-23-12-4-2-11(3-5-12)22-14-13(20-21-22)9-17-15(19-14)18-10-6-7-16-8-10;/h2-5,9-10,16H,6-8H2,1H3,(H,17,18,19);1H/t10-;/m1./s1.
What are the key properties of 3-(4-methoxyphenyl)-N-[(3R)-pyrrolidin-3-yl]triazolo[4,5-d]pyrimidin-5-amine;hydrochloride?
3-(4-methoxyphenyl)-N-[(3R)-pyrrolidin-3-yl]triazolo[4,5-d]pyrimidin-5-amine;hydrochloride has a molecular weight of 347.81 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[(3R)-pyrrolidin-3-yl]triazolo[4,5-d]pyrimidin-5-amine;hydrochloride is sourced from PubChem (CID 90390001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).