6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[1-[2-(trifluoromethyl)-1H-imidazol-5-yl]ethyl]-1,3,5-triazine-2,4-diamine

C17H16F3N9 — CID 166163848

IUPAC6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[1-[2-(trifluoromethyl)-1H-imidazol-5-yl]ethyl]-1,3,5-triazine-2,4-diamine
SMILESCc1ncc2ccc(-c3nc(N)nc(NC(C)c4cnc(C(F)(F)F)[nH]4)n3)cn12
InChIInChI=1S/C17H16F3N9/c1-8(12-6-23-14(25-12)17(18,19)20)24-16-27-13(26-15(21)28-16)10-3-4-11-5-22-9(2)29(11)7-10/h3-8H,1-2H3,(H,23,25)(H3,21,24,26,27,28)
InChIKeyJNLOQFTUQOYKDQ-UHFFFAOYSA-N
MW403.37 g/mol
LogP2.99
Rot. Bonds4

About 6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[1-[2-(trifluoromethyl)-1H-imidazol-5-yl]ethyl]-1,3,5-triazine-2,4-diamine

6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[1-[2-(trifluoromethyl)-1H-imidazol-5-yl]ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 166163848) has the molecular formula C17H16F3N9 and a molecular weight of 403.37 g/mol. Its IUPAC name is 6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[1-[2-(trifluoromethyl)-1H-imidazol-5-yl]ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[1-[2-(trifluoromethyl)-1H-imidazol-5-yl]ethyl]-1,3,5-triazine-2,4-diamine
PubChem CID166163848
Molecular FormulaC17H16F3N9
Molecular Weight403.37 g/mol
Exact Mass403.15
IUPAC Name6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[1-[2-(trifluoromethyl)-1H-imidazol-5-yl]ethyl]-1,3,5-triazine-2,4-diamine
SMILESCc1ncc2ccc(-c3nc(N)nc(NC(C)c4cnc(C(F)(F)F)[nH]4)n3)cn12
InChIInChI=1S/C17H16F3N9/c1-8(12-6-23-14(25-12)17(18,19)20)24-16-27-13(26-15(21)28-16)10-3-4-11-5-22-9(2)29(11)7-10/h3-8H,1-2H3,(H,23,25)(H3,21,24,26,27,28)
InChIKeyJNLOQFTUQOYKDQ-UHFFFAOYSA-N
XLogP2.99
TPSA122.70 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.37
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[1-[2-(trifluoromethyl)-1H-imidazol-5-yl]ethyl]-1,3,5-triazine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[1-[2-(trifluoromethyl)-1H-imidazol-5-yl]ethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[1-[2-(trifluoromethyl)-1H-imidazol-5-yl]ethyl]-1,3,5-triazine-2,4-diamine (CID 166163848) is 6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[1-[2-(trifluoromethyl)-1H-imidazol-5-yl]ethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[1-[2-(trifluoromethyl)-1H-imidazol-5-yl]ethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[1-[2-(trifluoromethyl)-1H-imidazol-5-yl]ethyl]-1,3,5-triazine-2,4-diamine is Cc1ncc2ccc(-c3nc(N)nc(NC(C)c4cnc(C(F)(F)F)[nH]4)n3)cn12.
What is the InChIKey of 6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[1-[2-(trifluoromethyl)-1H-imidazol-5-yl]ethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is JNLOQFTUQOYKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N9/c1-8(12-6-23-14(25-12)17(18,19)20)24-16-27-13(26-15(21)28-16)10-3-4-11-5-22-9(2)29(11)7-10/h3-8H,1-2H3,(H,23,25)(H3,21,24,26,27,28).
What are the key properties of 6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[1-[2-(trifluoromethyl)-1H-imidazol-5-yl]ethyl]-1,3,5-triazine-2,4-diamine?
6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[1-[2-(trifluoromethyl)-1H-imidazol-5-yl]ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 403.37 g/mol, XLogP of 2.99, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[1-[2-(trifluoromethyl)-1H-imidazol-5-yl]ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 166163848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).