[1-[[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]methyl]cyclobutyl]methanol

C10H15ClN4O — CID 171763624

IUPAC[1-[[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]methyl]cyclobutyl]methanol
SMILESCc1nc(NCC2(CO)CCC2)nnc1Cl
InChIInChI=1S/C10H15ClN4O/c1-7-8(11)14-15-9(13-7)12-5-10(6-16)3-2-4-10/h16H,2-6H2,1H3,(H,12,13,15)
InChIKeyJONMKTCKAXKHQZ-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.41
Rot. Bonds4

About [1-[[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]methyl]cyclobutyl]methanol

[1-[[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]methyl]cyclobutyl]methanol (PubChem CID 171763624) has the molecular formula C10H15ClN4O and a molecular weight of 242.71 g/mol. Its IUPAC name is [1-[[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]methyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]methyl]cyclobutyl]methanol
PubChem CID171763624
Molecular FormulaC10H15ClN4O
Molecular Weight242.71 g/mol
Exact Mass242.09
IUPAC Name[1-[[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]methyl]cyclobutyl]methanol
SMILESCc1nc(NCC2(CO)CCC2)nnc1Cl
InChIInChI=1S/C10H15ClN4O/c1-7-8(11)14-15-9(13-7)12-5-10(6-16)3-2-4-10/h16H,2-6H2,1H3,(H,12,13,15)
InChIKeyJONMKTCKAXKHQZ-UHFFFAOYSA-N
XLogP1.41
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]methyl]cyclobutyl]methanol?
The IUPAC name of [1-[[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]methyl]cyclobutyl]methanol (CID 171763624) is [1-[[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]methyl]cyclobutyl]methanol.
What is the SMILES notation for [1-[[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]methyl]cyclobutyl]methanol?
The canonical SMILES for [1-[[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]methyl]cyclobutyl]methanol is Cc1nc(NCC2(CO)CCC2)nnc1Cl.
What is the InChIKey of [1-[[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]methyl]cyclobutyl]methanol?
The InChIKey is JONMKTCKAXKHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O/c1-7-8(11)14-15-9(13-7)12-5-10(6-16)3-2-4-10/h16H,2-6H2,1H3,(H,12,13,15).
What are the key properties of [1-[[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]methyl]cyclobutyl]methanol?
[1-[[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]methyl]cyclobutyl]methanol has a molecular weight of 242.71 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]methyl]cyclobutyl]methanol is sourced from PubChem (CID 171763624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).