2-N-(1,1,1-trifluoropentan-2-yl)imidazo[2,1-f][1,2,4]triazine-2,4-diamine

C10H13F3N6 — CID 175997380

IUPAC2-N-(1,1,1-trifluoropentan-2-yl)imidazo[2,1-f][1,2,4]triazine-2,4-diamine
SMILESCCCC(Nc1nc(N)c2nccn2n1)C(F)(F)F
InChIInChI=1S/C10H13F3N6/c1-2-3-6(10(11,12)13)16-9-17-7(14)8-15-4-5-19(8)18-9/h4-6H,2-3H2,1H3,(H3,14,16,17,18)
InChIKeyWLOBUAHMMZBFTP-UHFFFAOYSA-N
MW274.25 g/mol
LogP1.85
Rot. Bonds4

About 2-N-(1,1,1-trifluoropentan-2-yl)imidazo[2,1-f][1,2,4]triazine-2,4-diamine

2-N-(1,1,1-trifluoropentan-2-yl)imidazo[2,1-f][1,2,4]triazine-2,4-diamine (PubChem CID 175997380) has the molecular formula C10H13F3N6 and a molecular weight of 274.25 g/mol. Its IUPAC name is 2-N-(1,1,1-trifluoropentan-2-yl)imidazo[2,1-f][1,2,4]triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(1,1,1-trifluoropentan-2-yl)imidazo[2,1-f][1,2,4]triazine-2,4-diamine
PubChem CID175997380
Molecular FormulaC10H13F3N6
Molecular Weight274.25 g/mol
Exact Mass274.12
IUPAC Name2-N-(1,1,1-trifluoropentan-2-yl)imidazo[2,1-f][1,2,4]triazine-2,4-diamine
SMILESCCCC(Nc1nc(N)c2nccn2n1)C(F)(F)F
InChIInChI=1S/C10H13F3N6/c1-2-3-6(10(11,12)13)16-9-17-7(14)8-15-4-5-19(8)18-9/h4-6H,2-3H2,1H3,(H3,14,16,17,18)
InChIKeyWLOBUAHMMZBFTP-UHFFFAOYSA-N
XLogP1.85
TPSA81.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6_tetrazine(18)', 'substructure': 'N/A'}

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Related Compounds

(1,2,4)Triazolo(1,5-a)pyrazin-2-amine
CID 13033266
2-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrazine
CID 53393357
N-(3-methoxypropyl)-[1,2,4]triazolo[1,5-a]pyrazin-5-amine
CID 75440275
8-[(3R,5S)-3,5-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]tetrazolo[1,5-a]pyrazine
CID 138020221
3-propan-2-yl-N-[(2S)-4,4,4-trifluoro-2-methylbutyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 164637185
N-[[(3S,4R)-3-fluoropiperidin-4-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 121415323
N-[[(3S,4R)-3-fluoropiperidin-4-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-5-amine
CID 121415355
3-(2,2-Difluoropropyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 123909889
N-[(3,3-difluoropiperidin-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 124107520
N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-5-amine
CID 124107526
N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 124107535
3-(3-Fluoropiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 139295490

Frequently Asked Questions

What is the IUPAC name of 2-N-(1,1,1-trifluoropentan-2-yl)imidazo[2,1-f][1,2,4]triazine-2,4-diamine?
The IUPAC name of 2-N-(1,1,1-trifluoropentan-2-yl)imidazo[2,1-f][1,2,4]triazine-2,4-diamine (CID 175997380) is 2-N-(1,1,1-trifluoropentan-2-yl)imidazo[2,1-f][1,2,4]triazine-2,4-diamine.
What is the SMILES notation for 2-N-(1,1,1-trifluoropentan-2-yl)imidazo[2,1-f][1,2,4]triazine-2,4-diamine?
The canonical SMILES for 2-N-(1,1,1-trifluoropentan-2-yl)imidazo[2,1-f][1,2,4]triazine-2,4-diamine is CCCC(Nc1nc(N)c2nccn2n1)C(F)(F)F.
What is the InChIKey of 2-N-(1,1,1-trifluoropentan-2-yl)imidazo[2,1-f][1,2,4]triazine-2,4-diamine?
The InChIKey is WLOBUAHMMZBFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N6/c1-2-3-6(10(11,12)13)16-9-17-7(14)8-15-4-5-19(8)18-9/h4-6H,2-3H2,1H3,(H3,14,16,17,18).
What are the key properties of 2-N-(1,1,1-trifluoropentan-2-yl)imidazo[2,1-f][1,2,4]triazine-2,4-diamine?
2-N-(1,1,1-trifluoropentan-2-yl)imidazo[2,1-f][1,2,4]triazine-2,4-diamine has a molecular weight of 274.25 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1,1,1-trifluoropentan-2-yl)imidazo[2,1-f][1,2,4]triazine-2,4-diamine is sourced from PubChem (CID 175997380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).