Skip to content

HNFMLFSNQVTRHO-UHFFFAOYSA-N

C17H12ClF3N6O3 — CID 90091953

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-chloro-5-[1-[(5-methyl-6-oxo-2,5-dihydro-1H-1,2,4-triazin-3-yl)methyl]-6-oxo-4-(trifluoromethyl)pyrimidin-5-yl]oxybenzonitrile
SMILESCC1N=C(Cn2cnc(C(F)(F)F)c(Oc3cc(Cl)cc(C#N)c3)c2=O)NNC1=O
InChIInChI=1S/C17H12ClF3N6O3/c1-8-15(28)26-25-12(24-8)6-27-7-23-14(17(19,20)21)13(16(27)29)30-11-3-9(5-22)2-10(18)4-11/h2-4,7-8H,6H2,1H3,(H,24,25)(H,26,28)
InChIKeyHNFMLFSNQVTRHO-UHFFFAOYSA-N
MW440.77 g/mol
LogP2.00
Rot. Bonds4

About HNFMLFSNQVTRHO-UHFFFAOYSA-N

HNFMLFSNQVTRHO-UHFFFAOYSA-N (PubChem CID 90091953) has the molecular formula C17H12ClF3N6O3 and a molecular weight of 440.77 g/mol. Its IUPAC name is 3-chloro-5-[1-[(5-methyl-6-oxo-2,5-dihydro-1H-1,2,4-triazin-3-yl)methyl]-6-oxo-4-(trifluoromethyl)pyrimidin-5-yl]oxybenzonitrile.

Molecular Properties

Compound NameHNFMLFSNQVTRHO-UHFFFAOYSA-N
PubChem CID90091953
Molecular FormulaC17H12ClF3N6O3
Molecular Weight440.77 g/mol
Exact Mass440.06
IUPAC Name3-chloro-5-[1-[(5-methyl-6-oxo-2,5-dihydro-1H-1,2,4-triazin-3-yl)methyl]-6-oxo-4-(trifluoromethyl)pyrimidin-5-yl]oxybenzonitrile
SMILESCC1N=C(Cn2cnc(C(F)(F)F)c(Oc3cc(Cl)cc(C#N)c3)c2=O)NNC1=O
InChIInChI=1S/C17H12ClF3N6O3/c1-8-15(28)26-25-12(24-8)6-27-7-23-14(17(19,20)21)13(16(27)29)30-11-3-9(5-22)2-10(18)4-11/h2-4,7-8H,6H2,1H3,(H,24,25)(H,26,28)
InChIKeyHNFMLFSNQVTRHO-UHFFFAOYSA-N
XLogP2.00
TPSA121.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.77
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze HNFMLFSNQVTRHO-UHFFFAOYSA-N with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of HNFMLFSNQVTRHO-UHFFFAOYSA-N?
The IUPAC name of HNFMLFSNQVTRHO-UHFFFAOYSA-N (CID 90091953) is 3-chloro-5-[1-[(5-methyl-6-oxo-2,5-dihydro-1H-1,2,4-triazin-3-yl)methyl]-6-oxo-4-(trifluoromethyl)pyrimidin-5-yl]oxybenzonitrile.
What is the SMILES notation for HNFMLFSNQVTRHO-UHFFFAOYSA-N?
The canonical SMILES for HNFMLFSNQVTRHO-UHFFFAOYSA-N is CC1N=C(Cn2cnc(C(F)(F)F)c(Oc3cc(Cl)cc(C#N)c3)c2=O)NNC1=O.
What is the InChIKey of HNFMLFSNQVTRHO-UHFFFAOYSA-N?
The InChIKey is HNFMLFSNQVTRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3N6O3/c1-8-15(28)26-25-12(24-8)6-27-7-23-14(17(19,20)21)13(16(27)29)30-11-3-9(5-22)2-10(18)4-11/h2-4,7-8H,6H2,1H3,(H,24,25)(H,26,28).
What are the key properties of HNFMLFSNQVTRHO-UHFFFAOYSA-N?
HNFMLFSNQVTRHO-UHFFFAOYSA-N has a molecular weight of 440.77 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for HNFMLFSNQVTRHO-UHFFFAOYSA-N is sourced from PubChem (CID 90091953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.