1-[4-amino-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-yl]-2-methylpyrrolidin-2-ol;hydrochloride

C14H16Cl3N5O — CID 67590578

IUPAC1-[4-amino-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-yl]-2-methylpyrrolidin-2-ol;hydrochloride
SMILESCC1(O)CCCN1c1nc(N)nc(-c2cc(Cl)ccc2Cl)n1.Cl
InChIInChI=1S/C14H15Cl2N5O.ClH/c1-14(22)5-2-6-21(14)13-19-11(18-12(17)20-13)9-7-8(15)3-4-10(9)16;/h3-4,7,22H,2,5-6H2,1H3,(H2,17,18,19,20);1H
InChIKeyVNCAJQSPTDDSCP-UHFFFAOYSA-N
MW376.68 g/mol
LogP3.16
Rot. Bonds2

About 1-[4-amino-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-yl]-2-methylpyrrolidin-2-ol;hydrochloride

1-[4-amino-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-yl]-2-methylpyrrolidin-2-ol;hydrochloride (PubChem CID 67590578) has the molecular formula C14H16Cl3N5O and a molecular weight of 376.68 g/mol. Its IUPAC name is 1-[4-amino-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-yl]-2-methylpyrrolidin-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[4-amino-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-yl]-2-methylpyrrolidin-2-ol;hydrochloride
PubChem CID67590578
Molecular FormulaC14H16Cl3N5O
Molecular Weight376.68 g/mol
Exact Mass375.04
IUPAC Name1-[4-amino-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-yl]-2-methylpyrrolidin-2-ol;hydrochloride
SMILESCC1(O)CCCN1c1nc(N)nc(-c2cc(Cl)ccc2Cl)n1.Cl
InChIInChI=1S/C14H15Cl2N5O.ClH/c1-14(22)5-2-6-21(14)13-19-11(18-12(17)20-13)9-7-8(15)3-4-10(9)16;/h3-4,7,22H,2,5-6H2,1H3,(H2,17,18,19,20);1H
InChIKeyVNCAJQSPTDDSCP-UHFFFAOYSA-N
XLogP3.16
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.68
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-yl]-2-methylpyrrolidin-2-ol;hydrochloride?
The IUPAC name of 1-[4-amino-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-yl]-2-methylpyrrolidin-2-ol;hydrochloride (CID 67590578) is 1-[4-amino-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-yl]-2-methylpyrrolidin-2-ol;hydrochloride.
What is the SMILES notation for 1-[4-amino-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-yl]-2-methylpyrrolidin-2-ol;hydrochloride?
The canonical SMILES for 1-[4-amino-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-yl]-2-methylpyrrolidin-2-ol;hydrochloride is CC1(O)CCCN1c1nc(N)nc(-c2cc(Cl)ccc2Cl)n1.Cl.
What is the InChIKey of 1-[4-amino-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-yl]-2-methylpyrrolidin-2-ol;hydrochloride?
The InChIKey is VNCAJQSPTDDSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N5O.ClH/c1-14(22)5-2-6-21(14)13-19-11(18-12(17)20-13)9-7-8(15)3-4-10(9)16;/h3-4,7,22H,2,5-6H2,1H3,(H2,17,18,19,20);1H.
What are the key properties of 1-[4-amino-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-yl]-2-methylpyrrolidin-2-ol;hydrochloride?
1-[4-amino-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-yl]-2-methylpyrrolidin-2-ol;hydrochloride has a molecular weight of 376.68 g/mol, XLogP of 3.16, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-yl]-2-methylpyrrolidin-2-ol;hydrochloride is sourced from PubChem (CID 67590578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).