[3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1-bicyclo[1.1.1]pentanyl]methanol

C10H13ClN4O — CID 171763672

IUPAC[3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1-bicyclo[1.1.1]pentanyl]methanol
SMILESCc1nc(NC23CC(CO)(C2)C3)nnc1Cl
InChIInChI=1S/C10H13ClN4O/c1-6-7(11)14-15-8(12-6)13-10-2-9(3-10,4-10)5-16/h16H,2-5H2,1H3,(H,12,13,15)
InChIKeyJZAHJZVSPRMODH-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.16
Rot. Bonds3

About [3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1-bicyclo[1.1.1]pentanyl]methanol

[3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1-bicyclo[1.1.1]pentanyl]methanol (PubChem CID 171763672) has the molecular formula C10H13ClN4O and a molecular weight of 240.69 g/mol. Its IUPAC name is [3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1-bicyclo[1.1.1]pentanyl]methanol.

Molecular Properties

Compound Name[3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1-bicyclo[1.1.1]pentanyl]methanol
PubChem CID171763672
Molecular FormulaC10H13ClN4O
Molecular Weight240.69 g/mol
Exact Mass240.08
IUPAC Name[3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1-bicyclo[1.1.1]pentanyl]methanol
SMILESCc1nc(NC23CC(CO)(C2)C3)nnc1Cl
InChIInChI=1S/C10H13ClN4O/c1-6-7(11)14-15-8(12-6)13-10-2-9(3-10,4-10)5-16/h16H,2-5H2,1H3,(H,12,13,15)
InChIKeyJZAHJZVSPRMODH-UHFFFAOYSA-N
XLogP1.16
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1-bicyclo[1.1.1]pentanyl]methanol?
The IUPAC name of [3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1-bicyclo[1.1.1]pentanyl]methanol (CID 171763672) is [3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1-bicyclo[1.1.1]pentanyl]methanol.
What is the SMILES notation for [3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1-bicyclo[1.1.1]pentanyl]methanol?
The canonical SMILES for [3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1-bicyclo[1.1.1]pentanyl]methanol is Cc1nc(NC23CC(CO)(C2)C3)nnc1Cl.
What is the InChIKey of [3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1-bicyclo[1.1.1]pentanyl]methanol?
The InChIKey is JZAHJZVSPRMODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O/c1-6-7(11)14-15-8(12-6)13-10-2-9(3-10,4-10)5-16/h16H,2-5H2,1H3,(H,12,13,15).
What are the key properties of [3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1-bicyclo[1.1.1]pentanyl]methanol?
[3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1-bicyclo[1.1.1]pentanyl]methanol has a molecular weight of 240.69 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1-bicyclo[1.1.1]pentanyl]methanol is sourced from PubChem (CID 171763672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).