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

C9H13ClN4O — CID 171763546

IUPAC2-[1-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclopropyl]ethanol
SMILESCc1nc(NC2(CCO)CC2)nnc1Cl
InChIInChI=1S/C9H13ClN4O/c1-6-7(10)13-14-8(11-6)12-9(2-3-9)4-5-15/h15H,2-5H2,1H3,(H,11,12,14)
InChIKeyBLRMZAHDNZLDJS-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.16
Rot. Bonds4

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

2-[1-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclopropyl]ethanol (PubChem CID 171763546) has the molecular formula C9H13ClN4O and a molecular weight of 228.68 g/mol. Its IUPAC name is 2-[1-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclopropyl]ethanol.

Molecular Properties

Compound Name2-[1-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclopropyl]ethanol
PubChem CID171763546
Molecular FormulaC9H13ClN4O
Molecular Weight228.68 g/mol
Exact Mass228.08
IUPAC Name2-[1-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclopropyl]ethanol
SMILESCc1nc(NC2(CCO)CC2)nnc1Cl
InChIInChI=1S/C9H13ClN4O/c1-6-7(10)13-14-8(11-6)12-9(2-3-9)4-5-15/h15H,2-5H2,1H3,(H,11,12,14)
InChIKeyBLRMZAHDNZLDJS-UHFFFAOYSA-N
XLogP1.16
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclopropyl]ethanol?
The IUPAC name of 2-[1-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclopropyl]ethanol (CID 171763546) is 2-[1-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclopropyl]ethanol.
What is the SMILES notation for 2-[1-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclopropyl]ethanol?
The canonical SMILES for 2-[1-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclopropyl]ethanol is Cc1nc(NC2(CCO)CC2)nnc1Cl.
What is the InChIKey of 2-[1-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclopropyl]ethanol?
The InChIKey is BLRMZAHDNZLDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4O/c1-6-7(10)13-14-8(11-6)12-9(2-3-9)4-5-15/h15H,2-5H2,1H3,(H,11,12,14).
What are the key properties of 2-[1-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclopropyl]ethanol?
2-[1-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclopropyl]ethanol has a molecular weight of 228.68 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclopropyl]ethanol is sourced from PubChem (CID 171763546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).