N-(5-methyl-1H-1,2,4-triazol-3-yl)-2,8-bis(trifluoromethyl)quinolin-4-amine

C14H9F6N5 — CID 155548256

IUPACN-(5-methyl-1H-1,2,4-triazol-3-yl)-2,8-bis(trifluoromethyl)quinolin-4-amine
SMILESCc1nc(Nc2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)n[nH]1
InChIInChI=1S/C14H9F6N5/c1-6-21-12(25-24-6)22-9-5-10(14(18,19)20)23-11-7(9)3-2-4-8(11)13(15,16)17/h2-5H,1H3,(H2,21,22,23,24,25)
InChIKeyLPDPSQNMSBRFIN-UHFFFAOYSA-N
MW361.25 g/mol
LogP4.44
Rot. Bonds2

About N-(5-methyl-1H-1,2,4-triazol-3-yl)-2,8-bis(trifluoromethyl)quinolin-4-amine

N-(5-methyl-1H-1,2,4-triazol-3-yl)-2,8-bis(trifluoromethyl)quinolin-4-amine (PubChem CID 155548256) has the molecular formula C14H9F6N5 and a molecular weight of 361.25 g/mol. Its IUPAC name is N-(5-methyl-1H-1,2,4-triazol-3-yl)-2,8-bis(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound NameN-(5-methyl-1H-1,2,4-triazol-3-yl)-2,8-bis(trifluoromethyl)quinolin-4-amine
PubChem CID155548256
Molecular FormulaC14H9F6N5
Molecular Weight361.25 g/mol
Exact Mass361.08
IUPAC NameN-(5-methyl-1H-1,2,4-triazol-3-yl)-2,8-bis(trifluoromethyl)quinolin-4-amine
SMILESCc1nc(Nc2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)n[nH]1
InChIInChI=1S/C14H9F6N5/c1-6-21-12(25-24-6)22-9-5-10(14(18,19)20)23-11-7(9)3-2-4-8(11)13(15,16)17/h2-5H,1H3,(H2,21,22,23,24,25)
InChIKeyLPDPSQNMSBRFIN-UHFFFAOYSA-N
XLogP4.44
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.25
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-1,2,4-triazol-3-yl)-2,8-bis(trifluoromethyl)quinolin-4-amine?
The IUPAC name of N-(5-methyl-1H-1,2,4-triazol-3-yl)-2,8-bis(trifluoromethyl)quinolin-4-amine (CID 155548256) is N-(5-methyl-1H-1,2,4-triazol-3-yl)-2,8-bis(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for N-(5-methyl-1H-1,2,4-triazol-3-yl)-2,8-bis(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for N-(5-methyl-1H-1,2,4-triazol-3-yl)-2,8-bis(trifluoromethyl)quinolin-4-amine is Cc1nc(Nc2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)n[nH]1.
What is the InChIKey of N-(5-methyl-1H-1,2,4-triazol-3-yl)-2,8-bis(trifluoromethyl)quinolin-4-amine?
The InChIKey is LPDPSQNMSBRFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F6N5/c1-6-21-12(25-24-6)22-9-5-10(14(18,19)20)23-11-7(9)3-2-4-8(11)13(15,16)17/h2-5H,1H3,(H2,21,22,23,24,25).
What are the key properties of N-(5-methyl-1H-1,2,4-triazol-3-yl)-2,8-bis(trifluoromethyl)quinolin-4-amine?
N-(5-methyl-1H-1,2,4-triazol-3-yl)-2,8-bis(trifluoromethyl)quinolin-4-amine has a molecular weight of 361.25 g/mol, XLogP of 4.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-1,2,4-triazol-3-yl)-2,8-bis(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 155548256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).