[4-[6-amino-5-[4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-3-pyridinyl]phenyl]methanol

C20H15Cl2N5O — CID 24762621

IUPAC[4-[6-amino-5-[4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-3-pyridinyl]phenyl]methanol
SMILESNc1ncc(-c2ccc(CO)cc2)cc1-c1nncn1-c1cccc(Cl)c1Cl
InChIInChI=1S/C20H15Cl2N5O/c21-16-2-1-3-17(18(16)22)27-11-25-26-20(27)15-8-14(9-24-19(15)23)13-6-4-12(10-28)5-7-13/h1-9,11,28H,10H2,(H2,23,24)
InChIKeyXIZMMQGJHGJESF-UHFFFAOYSA-N
MW412.28 g/mol
LogP4.38
Rot. Bonds4

About [4-[6-amino-5-[4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-3-pyridinyl]phenyl]methanol

[4-[6-amino-5-[4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-3-pyridinyl]phenyl]methanol (PubChem CID 24762621) has the molecular formula C20H15Cl2N5O and a molecular weight of 412.28 g/mol. Its IUPAC name is [4-[6-amino-5-[4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-3-pyridinyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[6-amino-5-[4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-3-pyridinyl]phenyl]methanol
PubChem CID24762621
Molecular FormulaC20H15Cl2N5O
Molecular Weight412.28 g/mol
Exact Mass411.07
IUPAC Name[4-[6-amino-5-[4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-3-pyridinyl]phenyl]methanol
SMILESNc1ncc(-c2ccc(CO)cc2)cc1-c1nncn1-c1cccc(Cl)c1Cl
InChIInChI=1S/C20H15Cl2N5O/c21-16-2-1-3-17(18(16)22)27-11-25-26-20(27)15-8-14(9-24-19(15)23)13-6-4-12(10-28)5-7-13/h1-9,11,28H,10H2,(H2,23,24)
InChIKeyXIZMMQGJHGJESF-UHFFFAOYSA-N
XLogP4.38
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.28
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[6-amino-5-[4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-3-pyridinyl]phenyl]methanol?
The IUPAC name of [4-[6-amino-5-[4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-3-pyridinyl]phenyl]methanol (CID 24762621) is [4-[6-amino-5-[4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-3-pyridinyl]phenyl]methanol.
What is the SMILES notation for [4-[6-amino-5-[4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-3-pyridinyl]phenyl]methanol?
The canonical SMILES for [4-[6-amino-5-[4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-3-pyridinyl]phenyl]methanol is Nc1ncc(-c2ccc(CO)cc2)cc1-c1nncn1-c1cccc(Cl)c1Cl.
What is the InChIKey of [4-[6-amino-5-[4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-3-pyridinyl]phenyl]methanol?
The InChIKey is XIZMMQGJHGJESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N5O/c21-16-2-1-3-17(18(16)22)27-11-25-26-20(27)15-8-14(9-24-19(15)23)13-6-4-12(10-28)5-7-13/h1-9,11,28H,10H2,(H2,23,24).
What are the key properties of [4-[6-amino-5-[4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-3-pyridinyl]phenyl]methanol?
[4-[6-amino-5-[4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-3-pyridinyl]phenyl]methanol has a molecular weight of 412.28 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-amino-5-[4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-3-pyridinyl]phenyl]methanol is sourced from PubChem (CID 24762621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).