7-[(2,2-difluorocyclohexyl)methyl]-2-[(2S)-pentan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-4-amine

C17H25F2N5O — CID 167607712

IUPAC7-[(2,2-difluorocyclohexyl)methyl]-2-[(2S)-pentan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-4-amine
SMILESCCC[C@H](C)Oc1nc(N)c2ncc(CC3CCCCC3(F)F)n2n1
InChIInChI=1S/C17H25F2N5O/c1-3-6-11(2)25-16-22-14(20)15-21-10-13(24(15)23-16)9-12-7-4-5-8-17(12,18)19/h10-12H,3-9H2,1-2H3,(H2,20,22,23)/t11-,12?/m0/s1
InChIKeyBNTUVYYGYCUWCH-PXYINDEMSA-N
MW353.42 g/mol
LogP3.64
Rot. Bonds6

About 7-[(2,2-difluorocyclohexyl)methyl]-2-[(2S)-pentan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-4-amine

7-[(2,2-difluorocyclohexyl)methyl]-2-[(2S)-pentan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 167607712) has the molecular formula C17H25F2N5O and a molecular weight of 353.42 g/mol. Its IUPAC name is 7-[(2,2-difluorocyclohexyl)methyl]-2-[(2S)-pentan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name7-[(2,2-difluorocyclohexyl)methyl]-2-[(2S)-pentan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-4-amine
PubChem CID167607712
Molecular FormulaC17H25F2N5O
Molecular Weight353.42 g/mol
Exact Mass353.20
IUPAC Name7-[(2,2-difluorocyclohexyl)methyl]-2-[(2S)-pentan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-4-amine
SMILESCCC[C@H](C)Oc1nc(N)c2ncc(CC3CCCCC3(F)F)n2n1
InChIInChI=1S/C17H25F2N5O/c1-3-6-11(2)25-16-22-14(20)15-21-10-13(24(15)23-16)9-12-7-4-5-8-17(12,18)19/h10-12H,3-9H2,1-2H3,(H2,20,22,23)/t11-,12?/m0/s1
InChIKeyBNTUVYYGYCUWCH-PXYINDEMSA-N
XLogP3.64
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(2,2-difluorocyclohexyl)methyl]-2-[(2S)-pentan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 7-[(2,2-difluorocyclohexyl)methyl]-2-[(2S)-pentan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-4-amine (CID 167607712) is 7-[(2,2-difluorocyclohexyl)methyl]-2-[(2S)-pentan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 7-[(2,2-difluorocyclohexyl)methyl]-2-[(2S)-pentan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 7-[(2,2-difluorocyclohexyl)methyl]-2-[(2S)-pentan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-4-amine is CCC[C@H](C)Oc1nc(N)c2ncc(CC3CCCCC3(F)F)n2n1.
What is the InChIKey of 7-[(2,2-difluorocyclohexyl)methyl]-2-[(2S)-pentan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is BNTUVYYGYCUWCH-PXYINDEMSA-N. The full InChI is InChI=1S/C17H25F2N5O/c1-3-6-11(2)25-16-22-14(20)15-21-10-13(24(15)23-16)9-12-7-4-5-8-17(12,18)19/h10-12H,3-9H2,1-2H3,(H2,20,22,23)/t11-,12?/m0/s1.
What are the key properties of 7-[(2,2-difluorocyclohexyl)methyl]-2-[(2S)-pentan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-4-amine?
7-[(2,2-difluorocyclohexyl)methyl]-2-[(2S)-pentan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 353.42 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,2-difluorocyclohexyl)methyl]-2-[(2S)-pentan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 167607712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).