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

C17H17F3N10 — CID 171803200

IUPAC6-(3-aminoimidazo[1,5-a]pyridin-6-yl)-2-N-[2-[2-(trifluoromethyl)-1H-imidazol-5-yl]propan-2-yl]-1,3,5-triazine-2,4-diamine
SMILESCC(C)(Nc1nc(N)nc(-c2ccc3cnc(N)n3c2)n1)c1cnc(C(F)(F)F)[nH]1
InChIInChI=1S/C17H17F3N10/c1-16(2,10-6-23-12(25-10)17(18,19)20)29-15-27-11(26-13(21)28-15)8-3-4-9-5-24-14(22)30(9)7-8/h3-7H,1-2H3,(H2,22,24)(H,23,25)(H3,21,26,27,28,29)
InChIKeyNHIRPKIXNRSGQP-UHFFFAOYSA-N
MW418.39 g/mol
LogP2.44
Rot. Bonds4

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

6-(3-aminoimidazo[1,5-a]pyridin-6-yl)-2-N-[2-[2-(trifluoromethyl)-1H-imidazol-5-yl]propan-2-yl]-1,3,5-triazine-2,4-diamine (PubChem CID 171803200) has the molecular formula C17H17F3N10 and a molecular weight of 418.39 g/mol. Its IUPAC name is 6-(3-aminoimidazo[1,5-a]pyridin-6-yl)-2-N-[2-[2-(trifluoromethyl)-1H-imidazol-5-yl]propan-2-yl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(3-aminoimidazo[1,5-a]pyridin-6-yl)-2-N-[2-[2-(trifluoromethyl)-1H-imidazol-5-yl]propan-2-yl]-1,3,5-triazine-2,4-diamine
PubChem CID171803200
Molecular FormulaC17H17F3N10
Molecular Weight418.39 g/mol
Exact Mass418.16
IUPAC Name6-(3-aminoimidazo[1,5-a]pyridin-6-yl)-2-N-[2-[2-(trifluoromethyl)-1H-imidazol-5-yl]propan-2-yl]-1,3,5-triazine-2,4-diamine
SMILESCC(C)(Nc1nc(N)nc(-c2ccc3cnc(N)n3c2)n1)c1cnc(C(F)(F)F)[nH]1
InChIInChI=1S/C17H17F3N10/c1-16(2,10-6-23-12(25-10)17(18,19)20)29-15-27-11(26-13(21)28-15)8-3-4-9-5-24-14(22)30(9)7-8/h3-7H,1-2H3,(H2,22,24)(H,23,25)(H3,21,26,27,28,29)
InChIKeyNHIRPKIXNRSGQP-UHFFFAOYSA-N
XLogP2.44
TPSA148.72 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.39
LogP ≤ 52.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of 6-(3-aminoimidazo[1,5-a]pyridin-6-yl)-2-N-[2-[2-(trifluoromethyl)-1H-imidazol-5-yl]propan-2-yl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(3-aminoimidazo[1,5-a]pyridin-6-yl)-2-N-[2-[2-(trifluoromethyl)-1H-imidazol-5-yl]propan-2-yl]-1,3,5-triazine-2,4-diamine (CID 171803200) is 6-(3-aminoimidazo[1,5-a]pyridin-6-yl)-2-N-[2-[2-(trifluoromethyl)-1H-imidazol-5-yl]propan-2-yl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(3-aminoimidazo[1,5-a]pyridin-6-yl)-2-N-[2-[2-(trifluoromethyl)-1H-imidazol-5-yl]propan-2-yl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(3-aminoimidazo[1,5-a]pyridin-6-yl)-2-N-[2-[2-(trifluoromethyl)-1H-imidazol-5-yl]propan-2-yl]-1,3,5-triazine-2,4-diamine is CC(C)(Nc1nc(N)nc(-c2ccc3cnc(N)n3c2)n1)c1cnc(C(F)(F)F)[nH]1.
What is the InChIKey of 6-(3-aminoimidazo[1,5-a]pyridin-6-yl)-2-N-[2-[2-(trifluoromethyl)-1H-imidazol-5-yl]propan-2-yl]-1,3,5-triazine-2,4-diamine?
The InChIKey is NHIRPKIXNRSGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N10/c1-16(2,10-6-23-12(25-10)17(18,19)20)29-15-27-11(26-13(21)28-15)8-3-4-9-5-24-14(22)30(9)7-8/h3-7H,1-2H3,(H2,22,24)(H,23,25)(H3,21,26,27,28,29).
What are the key properties of 6-(3-aminoimidazo[1,5-a]pyridin-6-yl)-2-N-[2-[2-(trifluoromethyl)-1H-imidazol-5-yl]propan-2-yl]-1,3,5-triazine-2,4-diamine?
6-(3-aminoimidazo[1,5-a]pyridin-6-yl)-2-N-[2-[2-(trifluoromethyl)-1H-imidazol-5-yl]propan-2-yl]-1,3,5-triazine-2,4-diamine has a molecular weight of 418.39 g/mol, XLogP of 2.44, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminoimidazo[1,5-a]pyridin-6-yl)-2-N-[2-[2-(trifluoromethyl)-1H-imidazol-5-yl]propan-2-yl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 171803200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).