N-[(2-chlorophenyl)methyl]-7-morpholin-4-yl-2H-triazolo[4,5-d]pyrimidin-5-amine

C15H16ClN7O — CID 56724470

IUPACN-[(2-chlorophenyl)methyl]-7-morpholin-4-yl-2H-triazolo[4,5-d]pyrimidin-5-amine
SMILESClc1ccccc1CNc1nc(N2CCOCC2)c2n[nH]nc2n1
InChIInChI=1S/C15H16ClN7O/c16-11-4-2-1-3-10(11)9-17-15-18-13-12(20-22-21-13)14(19-15)23-5-7-24-8-6-23/h1-4H,5-9H2,(H2,17,18,19,20,21,22)
InChIKeyBDVFNRGPSHQKFO-UHFFFAOYSA-N
MW345.79 g/mol
LogP1.85
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-7-morpholin-4-yl-2H-triazolo[4,5-d]pyrimidin-5-amine

N-[(2-chlorophenyl)methyl]-7-morpholin-4-yl-2H-triazolo[4,5-d]pyrimidin-5-amine (PubChem CID 56724470) has the molecular formula C15H16ClN7O and a molecular weight of 345.79 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-7-morpholin-4-yl-2H-triazolo[4,5-d]pyrimidin-5-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-7-morpholin-4-yl-2H-triazolo[4,5-d]pyrimidin-5-amine
PubChem CID56724470
Molecular FormulaC15H16ClN7O
Molecular Weight345.79 g/mol
Exact Mass345.11
IUPAC NameN-[(2-chlorophenyl)methyl]-7-morpholin-4-yl-2H-triazolo[4,5-d]pyrimidin-5-amine
SMILESClc1ccccc1CNc1nc(N2CCOCC2)c2n[nH]nc2n1
InChIInChI=1S/C15H16ClN7O/c16-11-4-2-1-3-10(11)9-17-15-18-13-12(20-22-21-13)14(19-15)23-5-7-24-8-6-23/h1-4H,5-9H2,(H2,17,18,19,20,21,22)
InChIKeyBDVFNRGPSHQKFO-UHFFFAOYSA-N
XLogP1.85
TPSA91.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-7-morpholin-4-yl-2H-triazolo[4,5-d]pyrimidin-5-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-7-morpholin-4-yl-2H-triazolo[4,5-d]pyrimidin-5-amine (CID 56724470) is N-[(2-chlorophenyl)methyl]-7-morpholin-4-yl-2H-triazolo[4,5-d]pyrimidin-5-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-7-morpholin-4-yl-2H-triazolo[4,5-d]pyrimidin-5-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-7-morpholin-4-yl-2H-triazolo[4,5-d]pyrimidin-5-amine is Clc1ccccc1CNc1nc(N2CCOCC2)c2n[nH]nc2n1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-7-morpholin-4-yl-2H-triazolo[4,5-d]pyrimidin-5-amine?
The InChIKey is BDVFNRGPSHQKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN7O/c16-11-4-2-1-3-10(11)9-17-15-18-13-12(20-22-21-13)14(19-15)23-5-7-24-8-6-23/h1-4H,5-9H2,(H2,17,18,19,20,21,22).
What are the key properties of N-[(2-chlorophenyl)methyl]-7-morpholin-4-yl-2H-triazolo[4,5-d]pyrimidin-5-amine?
N-[(2-chlorophenyl)methyl]-7-morpholin-4-yl-2H-triazolo[4,5-d]pyrimidin-5-amine has a molecular weight of 345.79 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-7-morpholin-4-yl-2H-triazolo[4,5-d]pyrimidin-5-amine is sourced from PubChem (CID 56724470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).