1-[6-[(5-amino-7-chloro-2H-triazolo[4,5-c]pyridin-3-yl)methyl]-2-pyridinyl]cyclobutan-1-ol

C15H17ClN6O — CID 66718365

IUPAC1-[6-[(5-amino-7-chloro-2H-triazolo[4,5-c]pyridin-3-yl)methyl]-2-pyridinyl]cyclobutan-1-ol
SMILESNN1C=C(Cl)C2=NNN(Cc3cccc(C4(O)CCC4)n3)C2=C1
InChIInChI=1S/C15H17ClN6O/c16-11-8-21(17)9-12-14(11)19-20-22(12)7-10-3-1-4-13(18-10)15(23)5-2-6-15/h1,3-4,8-9,20,23H,2,5-7,17H2
InChIKeyRYOSGWDAOJAGEM-UHFFFAOYSA-N
MW332.80 g/mol
LogP1.24
Rot. Bonds3

About 1-[6-[(5-amino-7-chloro-2H-triazolo[4,5-c]pyridin-3-yl)methyl]-2-pyridinyl]cyclobutan-1-ol

1-[6-[(5-amino-7-chloro-2H-triazolo[4,5-c]pyridin-3-yl)methyl]-2-pyridinyl]cyclobutan-1-ol (PubChem CID 66718365) has the molecular formula C15H17ClN6O and a molecular weight of 332.80 g/mol. Its IUPAC name is 1-[6-[(5-amino-7-chloro-2H-triazolo[4,5-c]pyridin-3-yl)methyl]-2-pyridinyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[6-[(5-amino-7-chloro-2H-triazolo[4,5-c]pyridin-3-yl)methyl]-2-pyridinyl]cyclobutan-1-ol
PubChem CID66718365
Molecular FormulaC15H17ClN6O
Molecular Weight332.80 g/mol
Exact Mass332.12
IUPAC Name1-[6-[(5-amino-7-chloro-2H-triazolo[4,5-c]pyridin-3-yl)methyl]-2-pyridinyl]cyclobutan-1-ol
SMILESNN1C=C(Cl)C2=NNN(Cc3cccc(C4(O)CCC4)n3)C2=C1
InChIInChI=1S/C15H17ClN6O/c16-11-8-21(17)9-12-14(11)19-20-22(12)7-10-3-1-4-13(18-10)15(23)5-2-6-15/h1,3-4,8-9,20,23H,2,5-7,17H2
InChIKeyRYOSGWDAOJAGEM-UHFFFAOYSA-N
XLogP1.24
TPSA90.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.80
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[(5-amino-7-chloro-2H-triazolo[4,5-c]pyridin-3-yl)methyl]-2-pyridinyl]cyclobutan-1-ol?
The IUPAC name of 1-[6-[(5-amino-7-chloro-2H-triazolo[4,5-c]pyridin-3-yl)methyl]-2-pyridinyl]cyclobutan-1-ol (CID 66718365) is 1-[6-[(5-amino-7-chloro-2H-triazolo[4,5-c]pyridin-3-yl)methyl]-2-pyridinyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[6-[(5-amino-7-chloro-2H-triazolo[4,5-c]pyridin-3-yl)methyl]-2-pyridinyl]cyclobutan-1-ol?
The canonical SMILES for 1-[6-[(5-amino-7-chloro-2H-triazolo[4,5-c]pyridin-3-yl)methyl]-2-pyridinyl]cyclobutan-1-ol is NN1C=C(Cl)C2=NNN(Cc3cccc(C4(O)CCC4)n3)C2=C1.
What is the InChIKey of 1-[6-[(5-amino-7-chloro-2H-triazolo[4,5-c]pyridin-3-yl)methyl]-2-pyridinyl]cyclobutan-1-ol?
The InChIKey is RYOSGWDAOJAGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN6O/c16-11-8-21(17)9-12-14(11)19-20-22(12)7-10-3-1-4-13(18-10)15(23)5-2-6-15/h1,3-4,8-9,20,23H,2,5-7,17H2.
What are the key properties of 1-[6-[(5-amino-7-chloro-2H-triazolo[4,5-c]pyridin-3-yl)methyl]-2-pyridinyl]cyclobutan-1-ol?
1-[6-[(5-amino-7-chloro-2H-triazolo[4,5-c]pyridin-3-yl)methyl]-2-pyridinyl]cyclobutan-1-ol has a molecular weight of 332.80 g/mol, XLogP of 1.24, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(5-amino-7-chloro-2H-triazolo[4,5-c]pyridin-3-yl)methyl]-2-pyridinyl]cyclobutan-1-ol is sourced from PubChem (CID 66718365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).