cis-(1S,2S)-2-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1-methylcyclobutan-1-ol

C9H13ClN4O — CID 171763623

IUPACcis-(1S,2S)-2-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1-methylcyclobutan-1-ol
SMILESCc1nc(N[C@H]2CC[C@]2(C)O)nnc1Cl
InChIInChI=1S/C9H13ClN4O/c1-5-7(10)13-14-8(11-5)12-6-3-4-9(6,2)15/h6,15H,3-4H2,1-2H3,(H,11,12,14)/t6-,9-/m0/s1
InChIKeyHZOPUIDLUHXWFJ-RCOVLWMOSA-N
MW228.68 g/mol
LogP1.16
Rot. Bonds2

About cis-(1S,2S)-2-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1-methylcyclobutan-1-ol

cis-(1S,2S)-2-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1-methylcyclobutan-1-ol (PubChem CID 171763623) has the molecular formula C9H13ClN4O and a molecular weight of 228.68 g/mol. Its IUPAC name is cis-(1S,2S)-2-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1-methylcyclobutan-1-ol.

Molecular Properties

Compound Namecis-(1S,2S)-2-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1-methylcyclobutan-1-ol
PubChem CID171763623
Molecular FormulaC9H13ClN4O
Molecular Weight228.68 g/mol
Exact Mass228.08
IUPAC Namecis-(1S,2S)-2-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1-methylcyclobutan-1-ol
SMILESCc1nc(N[C@H]2CC[C@]2(C)O)nnc1Cl
InChIInChI=1S/C9H13ClN4O/c1-5-7(10)13-14-8(11-5)12-6-3-4-9(6,2)15/h6,15H,3-4H2,1-2H3,(H,11,12,14)/t6-,9-/m0/s1
InChIKeyHZOPUIDLUHXWFJ-RCOVLWMOSA-N
XLogP1.16
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze cis-(1S,2S)-2-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1-methylcyclobutan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1-methylcyclobutan-1-ol?
The IUPAC name of cis-(1S,2S)-2-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1-methylcyclobutan-1-ol (CID 171763623) is cis-(1S,2S)-2-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1-methylcyclobutan-1-ol.
What is the SMILES notation for cis-(1S,2S)-2-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1-methylcyclobutan-1-ol?
The canonical SMILES for cis-(1S,2S)-2-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1-methylcyclobutan-1-ol is Cc1nc(N[C@H]2CC[C@]2(C)O)nnc1Cl.
What is the InChIKey of cis-(1S,2S)-2-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1-methylcyclobutan-1-ol?
The InChIKey is HZOPUIDLUHXWFJ-RCOVLWMOSA-N. The full InChI is InChI=1S/C9H13ClN4O/c1-5-7(10)13-14-8(11-5)12-6-3-4-9(6,2)15/h6,15H,3-4H2,1-2H3,(H,11,12,14)/t6-,9-/m0/s1.
What are the key properties of cis-(1S,2S)-2-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1-methylcyclobutan-1-ol?
cis-(1S,2S)-2-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1-methylcyclobutan-1-ol has a molecular weight of 228.68 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1-methylcyclobutan-1-ol is sourced from PubChem (CID 171763623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).