6-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]spiro[3.3]heptan-2-ol

C11H15ClN4O — CID 171763533

IUPAC6-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]spiro[3.3]heptan-2-ol
SMILESCc1nc(NC2CC3(CC(O)C3)C2)nnc1Cl
InChIInChI=1S/C11H15ClN4O/c1-6-9(12)15-16-10(13-6)14-7-2-11(3-7)4-8(17)5-11/h7-8,17H,2-5H2,1H3,(H,13,14,16)
InChIKeyOUAJQIWVRBBDTC-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.55
Rot. Bonds2

About 6-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]spiro[3.3]heptan-2-ol

6-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]spiro[3.3]heptan-2-ol (PubChem CID 171763533) has the molecular formula C11H15ClN4O and a molecular weight of 254.72 g/mol. Its IUPAC name is 6-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]spiro[3.3]heptan-2-ol.

Molecular Properties

Compound Name6-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]spiro[3.3]heptan-2-ol
PubChem CID171763533
Molecular FormulaC11H15ClN4O
Molecular Weight254.72 g/mol
Exact Mass254.09
IUPAC Name6-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]spiro[3.3]heptan-2-ol
SMILESCc1nc(NC2CC3(CC(O)C3)C2)nnc1Cl
InChIInChI=1S/C11H15ClN4O/c1-6-9(12)15-16-10(13-6)14-7-2-11(3-7)4-8(17)5-11/h7-8,17H,2-5H2,1H3,(H,13,14,16)
InChIKeyOUAJQIWVRBBDTC-UHFFFAOYSA-N
XLogP1.55
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]spiro[3.3]heptan-2-ol?
The IUPAC name of 6-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]spiro[3.3]heptan-2-ol (CID 171763533) is 6-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]spiro[3.3]heptan-2-ol.
What is the SMILES notation for 6-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]spiro[3.3]heptan-2-ol?
The canonical SMILES for 6-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]spiro[3.3]heptan-2-ol is Cc1nc(NC2CC3(CC(O)C3)C2)nnc1Cl.
What is the InChIKey of 6-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]spiro[3.3]heptan-2-ol?
The InChIKey is OUAJQIWVRBBDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O/c1-6-9(12)15-16-10(13-6)14-7-2-11(3-7)4-8(17)5-11/h7-8,17H,2-5H2,1H3,(H,13,14,16).
What are the key properties of 6-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]spiro[3.3]heptan-2-ol?
6-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]spiro[3.3]heptan-2-ol has a molecular weight of 254.72 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]spiro[3.3]heptan-2-ol is sourced from PubChem (CID 171763533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).