2-[[4-amino-2-[(2S)-pentan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-7-yl]methyl]cyclohexan-1-ol

C17H27N5O2 — CID 167637013

IUPAC2-[[4-amino-2-[(2S)-pentan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-7-yl]methyl]cyclohexan-1-ol
SMILESCCC[C@H](C)Oc1nc(N)c2ncc(CC3CCCCC3O)n2n1
InChIInChI=1S/C17H27N5O2/c1-3-6-11(2)24-17-20-15(18)16-19-10-13(22(16)21-17)9-12-7-4-5-8-14(12)23/h10-12,14,23H,3-9H2,1-2H3,(H2,18,20,21)/t11-,12?,14?/m0/s1
InChIKeyPSEOQKAKSZLQMD-DCBWTQNWSA-N
MW333.44 g/mol
LogP2.37
Rot. Bonds6

About 2-[[4-amino-2-[(2S)-pentan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-7-yl]methyl]cyclohexan-1-ol

2-[[4-amino-2-[(2S)-pentan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-7-yl]methyl]cyclohexan-1-ol (PubChem CID 167637013) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-[[4-amino-2-[(2S)-pentan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-7-yl]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[4-amino-2-[(2S)-pentan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-7-yl]methyl]cyclohexan-1-ol
PubChem CID167637013
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name2-[[4-amino-2-[(2S)-pentan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-7-yl]methyl]cyclohexan-1-ol
SMILESCCC[C@H](C)Oc1nc(N)c2ncc(CC3CCCCC3O)n2n1
InChIInChI=1S/C17H27N5O2/c1-3-6-11(2)24-17-20-15(18)16-19-10-13(22(16)21-17)9-12-7-4-5-8-14(12)23/h10-12,14,23H,3-9H2,1-2H3,(H2,18,20,21)/t11-,12?,14?/m0/s1
InChIKeyPSEOQKAKSZLQMD-DCBWTQNWSA-N
XLogP2.37
TPSA98.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-2-[(2S)-pentan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-7-yl]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[4-amino-2-[(2S)-pentan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-7-yl]methyl]cyclohexan-1-ol (CID 167637013) is 2-[[4-amino-2-[(2S)-pentan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-7-yl]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[4-amino-2-[(2S)-pentan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-7-yl]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[4-amino-2-[(2S)-pentan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-7-yl]methyl]cyclohexan-1-ol is CCC[C@H](C)Oc1nc(N)c2ncc(CC3CCCCC3O)n2n1.
What is the InChIKey of 2-[[4-amino-2-[(2S)-pentan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-7-yl]methyl]cyclohexan-1-ol?
The InChIKey is PSEOQKAKSZLQMD-DCBWTQNWSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-3-6-11(2)24-17-20-15(18)16-19-10-13(22(16)21-17)9-12-7-4-5-8-14(12)23/h10-12,14,23H,3-9H2,1-2H3,(H2,18,20,21)/t11-,12?,14?/m0/s1.
What are the key properties of 2-[[4-amino-2-[(2S)-pentan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-7-yl]methyl]cyclohexan-1-ol?
2-[[4-amino-2-[(2S)-pentan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-7-yl]methyl]cyclohexan-1-ol has a molecular weight of 333.44 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-amino-2-[(2S)-pentan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-7-yl]methyl]cyclohexan-1-ol is sourced from PubChem (CID 167637013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).