1-[2-[3-chloro-5-(methylamino)-2-pyridinyl]triazol-4-yl]ethanol

C10H12ClN5O — CID 156564027

IUPAC1-[2-[3-chloro-5-(methylamino)-2-pyridinyl]triazol-4-yl]ethanol
SMILESCNc1cnc(-n2ncc(C(C)O)n2)c(Cl)c1
InChIInChI=1S/C10H12ClN5O/c1-6(17)9-5-14-16(15-9)10-8(11)3-7(12-2)4-13-10/h3-6,12,17H,1-2H3
InChIKeyYBRMLDPUULEHNO-UHFFFAOYSA-N
MW253.69 g/mol
LogP1.41
Rot. Bonds3

About 1-[2-[3-chloro-5-(methylamino)-2-pyridinyl]triazol-4-yl]ethanol

1-[2-[3-chloro-5-(methylamino)-2-pyridinyl]triazol-4-yl]ethanol (PubChem CID 156564027) has the molecular formula C10H12ClN5O and a molecular weight of 253.69 g/mol. Its IUPAC name is 1-[2-[3-chloro-5-(methylamino)-2-pyridinyl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[2-[3-chloro-5-(methylamino)-2-pyridinyl]triazol-4-yl]ethanol
PubChem CID156564027
Molecular FormulaC10H12ClN5O
Molecular Weight253.69 g/mol
Exact Mass253.07
IUPAC Name1-[2-[3-chloro-5-(methylamino)-2-pyridinyl]triazol-4-yl]ethanol
SMILESCNc1cnc(-n2ncc(C(C)O)n2)c(Cl)c1
InChIInChI=1S/C10H12ClN5O/c1-6(17)9-5-14-16(15-9)10-8(11)3-7(12-2)4-13-10/h3-6,12,17H,1-2H3
InChIKeyYBRMLDPUULEHNO-UHFFFAOYSA-N
XLogP1.41
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-chloro-5-(methylamino)-2-pyridinyl]triazol-4-yl]ethanol?
The IUPAC name of 1-[2-[3-chloro-5-(methylamino)-2-pyridinyl]triazol-4-yl]ethanol (CID 156564027) is 1-[2-[3-chloro-5-(methylamino)-2-pyridinyl]triazol-4-yl]ethanol.
What is the SMILES notation for 1-[2-[3-chloro-5-(methylamino)-2-pyridinyl]triazol-4-yl]ethanol?
The canonical SMILES for 1-[2-[3-chloro-5-(methylamino)-2-pyridinyl]triazol-4-yl]ethanol is CNc1cnc(-n2ncc(C(C)O)n2)c(Cl)c1.
What is the InChIKey of 1-[2-[3-chloro-5-(methylamino)-2-pyridinyl]triazol-4-yl]ethanol?
The InChIKey is YBRMLDPUULEHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5O/c1-6(17)9-5-14-16(15-9)10-8(11)3-7(12-2)4-13-10/h3-6,12,17H,1-2H3.
What are the key properties of 1-[2-[3-chloro-5-(methylamino)-2-pyridinyl]triazol-4-yl]ethanol?
1-[2-[3-chloro-5-(methylamino)-2-pyridinyl]triazol-4-yl]ethanol has a molecular weight of 253.69 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-chloro-5-(methylamino)-2-pyridinyl]triazol-4-yl]ethanol is sourced from PubChem (CID 156564027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).