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

C18H18F3N9 — CID 171803198

IUPAC6-(1-methylindazol-6-yl)-2-N-[2-[2-(trifluoromethyl)-1H-imidazol-5-yl]propan-2-yl]-1,3,5-triazine-2,4-diamine
SMILESCn1ncc2ccc(-c3nc(N)nc(NC(C)(C)c4cnc(C(F)(F)F)[nH]4)n3)cc21
InChIInChI=1S/C18H18F3N9/c1-17(2,12-8-23-14(25-12)18(19,20)21)29-16-27-13(26-15(22)28-16)9-4-5-10-7-24-30(3)11(10)6-9/h4-8H,1-3H3,(H,23,25)(H3,22,26,27,28,29)
InChIKeyNJSSOPPDBLSEPC-UHFFFAOYSA-N
MW417.40 g/mol
LogP3.10
Rot. Bonds4

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

6-(1-methylindazol-6-yl)-2-N-[2-[2-(trifluoromethyl)-1H-imidazol-5-yl]propan-2-yl]-1,3,5-triazine-2,4-diamine (PubChem CID 171803198) has the molecular formula C18H18F3N9 and a molecular weight of 417.40 g/mol. Its IUPAC name is 6-(1-methylindazol-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-(1-methylindazol-6-yl)-2-N-[2-[2-(trifluoromethyl)-1H-imidazol-5-yl]propan-2-yl]-1,3,5-triazine-2,4-diamine
PubChem CID171803198
Molecular FormulaC18H18F3N9
Molecular Weight417.40 g/mol
Exact Mass417.16
IUPAC Name6-(1-methylindazol-6-yl)-2-N-[2-[2-(trifluoromethyl)-1H-imidazol-5-yl]propan-2-yl]-1,3,5-triazine-2,4-diamine
SMILESCn1ncc2ccc(-c3nc(N)nc(NC(C)(C)c4cnc(C(F)(F)F)[nH]4)n3)cc21
InChIInChI=1S/C18H18F3N9/c1-17(2,12-8-23-14(25-12)18(19,20)21)29-16-27-13(26-15(22)28-16)9-4-5-10-7-24-30(3)11(10)6-9/h4-8H,1-3H3,(H,23,25)(H3,22,26,27,28,29)
InChIKeyNJSSOPPDBLSEPC-UHFFFAOYSA-N
XLogP3.10
TPSA123.22 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.40
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

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
2-N-[2-[1-(difluoromethyl)pyrazol-3-yl]propan-2-yl]-6-(1-methylindazol-5-yl)-1,3,5-triazine-2,4-diamine
CID 171803216
6-(1H-indazol-6-yl)-2-N-[2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-yl]-1,3,5-triazine-2,4-diamine
CID 166164105
6-(1-fluoro-3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[2-methyl-1-[2-(trifluoromethyl)-1H-imidazol-5-yl]propyl]-1,3,5-triazine-2,4-diamine
CID 178184768
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
6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[(1S)-2-methyl-1-[2-(trifluoromethyl)-1H-imidazol-5-yl]propyl]-1,3,5-triazine-2,4-diamine
CID 178184764
6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]-1,3,5-triazine-2,4-diamine
CID 171803174
2-N-[(2,3-difluoro-4-methoxyphenyl)methyl]-6-[1-(oxan-2-yl)indazol-6-yl]-1,3,5-triazine-2,4-diamine
CID 166164028
(2R)-1-N-[5-(1-methylindazol-6-yl)-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]propane-1,2-diamine
CID 87647754
6-(1-methylindazol-6-yl)-2-morpholin-4-yl-N-[4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]phenyl]pyrimidin-4-amine
CID 121272367
tert-butyl 4-fluoro-3-(1-methylindazol-6-yl)benzoate
CID 175890325
5-(2,2-dimethylpropyl)-1-methylindazole
CID 59139804

Frequently Asked Questions

What is the IUPAC name of 6-(1-methylindazol-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-(1-methylindazol-6-yl)-2-N-[2-[2-(trifluoromethyl)-1H-imidazol-5-yl]propan-2-yl]-1,3,5-triazine-2,4-diamine (CID 171803198) is 6-(1-methylindazol-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-(1-methylindazol-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-(1-methylindazol-6-yl)-2-N-[2-[2-(trifluoromethyl)-1H-imidazol-5-yl]propan-2-yl]-1,3,5-triazine-2,4-diamine is Cn1ncc2ccc(-c3nc(N)nc(NC(C)(C)c4cnc(C(F)(F)F)[nH]4)n3)cc21.
What is the InChIKey of 6-(1-methylindazol-6-yl)-2-N-[2-[2-(trifluoromethyl)-1H-imidazol-5-yl]propan-2-yl]-1,3,5-triazine-2,4-diamine?
The InChIKey is NJSSOPPDBLSEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N9/c1-17(2,12-8-23-14(25-12)18(19,20)21)29-16-27-13(26-15(22)28-16)9-4-5-10-7-24-30(3)11(10)6-9/h4-8H,1-3H3,(H,23,25)(H3,22,26,27,28,29).
What are the key properties of 6-(1-methylindazol-6-yl)-2-N-[2-[2-(trifluoromethyl)-1H-imidazol-5-yl]propan-2-yl]-1,3,5-triazine-2,4-diamine?
6-(1-methylindazol-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 417.40 g/mol, XLogP of 3.10, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylindazol-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 171803198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).