6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine

C10H8FN5 — CID 166071221

IUPAC6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
SMILESCc1nnc2nc(N)c3c(F)cccc3n12
InChIInChI=1S/C10H8FN5/c1-5-14-15-10-13-9(12)8-6(11)3-2-4-7(8)16(5)10/h2-4H,1H3,(H2,12,13,15)
InChIKeyXCCNHLHOGBGJHU-UHFFFAOYSA-N
MW217.21 g/mol
LogP1.31
Rot. Bonds

About 6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine

6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine (PubChem CID 166071221) has the molecular formula C10H8FN5 and a molecular weight of 217.21 g/mol. Its IUPAC name is 6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine.

Molecular Properties

Compound Name6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
PubChem CID166071221
Molecular FormulaC10H8FN5
Molecular Weight217.21 g/mol
Exact Mass217.08
IUPAC Name6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
SMILESCc1nnc2nc(N)c3c(F)cccc3n12
InChIInChI=1S/C10H8FN5/c1-5-14-15-10-13-9(12)8-6(11)3-2-4-7(8)16(5)10/h2-4H,1H3,(H2,12,13,15)
InChIKeyXCCNHLHOGBGJHU-UHFFFAOYSA-N
XLogP1.31
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.21
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-Diaminoquinazoline
CID 65087
5,7-Dimethyl-2-phenylpyrazolo[1,5-a]pyrimidine
CID 737207
1H-pyrazolo[3,4-b]quinolin-3-amine
CID 667632
N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine
CID 6419766
5-Methyl-7-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 975713
(8-Fluoro-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazine
CID 6401723
2,4-Quinazolinediamine, 5-fluoro-
CID 456246
6-Methylindolo[1,2-c]quinazolin-12-amine
CID 2396841
3-methyl-1-phenyl-4,6-bis(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine
CID 555240
2-Phenyl-4-(1,2,4-Triazol-4-Yl)quinazoline
CID 17436861
N-[3,5-Difluoro-4-(Trifluoromethyl)phenyl]-5-Methyl-2-(Trifluoromethyl)[1,2,4]triazolo[1,5-A]pyrimidin-7-Amine
CID 51031042
2-(1,1-Difluoroethyl)-5-Methyl-N-[4-(Trifluoromethyl)phenyl][1,2,4]triazolo[1,5-A]pyrimidin-7-Amine
CID 51349276

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The IUPAC name of 6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine (CID 166071221) is 6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine.
What is the SMILES notation for 6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The canonical SMILES for 6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine is Cc1nnc2nc(N)c3c(F)cccc3n12.
What is the InChIKey of 6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The InChIKey is XCCNHLHOGBGJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN5/c1-5-14-15-10-13-9(12)8-6(11)3-2-4-7(8)16(5)10/h2-4H,1H3,(H2,12,13,15).
What are the key properties of 6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine has a molecular weight of 217.21 g/mol, XLogP of 1.31, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine is sourced from PubChem (CID 166071221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).