[4-amino-2-[(2S)-pentan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-7-yl]-[4-(methylamino)cyclohexyl]methanol

C18H30N6O2 — CID 155777746

IUPAC[4-amino-2-[(2S)-pentan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-7-yl]-[4-(methylamino)cyclohexyl]methanol
SMILESCCC[C@H](C)Oc1nc(N)c2ncc(C(O)C3CCC(NC)CC3)n2n1
InChIInChI=1S/C18H30N6O2/c1-4-5-11(2)26-18-22-16(19)17-21-10-14(24(17)23-18)15(25)12-6-8-13(20-3)9-7-12/h10-13,15,20,25H,4-9H2,1-3H3,(H2,19,22,23)/t11-,12?,13?,15?/m0/s1
InChIKeyWHJSNJDZWWWVQA-PXWWDBQQSA-N
MW362.48 g/mol
LogP2.09
Rot. Bonds7

About [4-amino-2-[(2S)-pentan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-7-yl]-[4-(methylamino)cyclohexyl]methanol

[4-amino-2-[(2S)-pentan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-7-yl]-[4-(methylamino)cyclohexyl]methanol (PubChem CID 155777746) has the molecular formula C18H30N6O2 and a molecular weight of 362.48 g/mol. Its IUPAC name is [4-amino-2-[(2S)-pentan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-7-yl]-[4-(methylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[4-amino-2-[(2S)-pentan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-7-yl]-[4-(methylamino)cyclohexyl]methanol
PubChem CID155777746
Molecular FormulaC18H30N6O2
Molecular Weight362.48 g/mol
Exact Mass362.24
IUPAC Name[4-amino-2-[(2S)-pentan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-7-yl]-[4-(methylamino)cyclohexyl]methanol
SMILESCCC[C@H](C)Oc1nc(N)c2ncc(C(O)C3CCC(NC)CC3)n2n1
InChIInChI=1S/C18H30N6O2/c1-4-5-11(2)26-18-22-16(19)17-21-10-14(24(17)23-18)15(25)12-6-8-13(20-3)9-7-12/h10-13,15,20,25H,4-9H2,1-3H3,(H2,19,22,23)/t11-,12?,13?,15?/m0/s1
InChIKeyWHJSNJDZWWWVQA-PXWWDBQQSA-N
XLogP2.09
TPSA110.59 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-amino-2-[(2S)-pentan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-7-yl]-[4-(methylamino)cyclohexyl]methanol?
The IUPAC name of [4-amino-2-[(2S)-pentan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-7-yl]-[4-(methylamino)cyclohexyl]methanol (CID 155777746) is [4-amino-2-[(2S)-pentan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-7-yl]-[4-(methylamino)cyclohexyl]methanol.
What is the SMILES notation for [4-amino-2-[(2S)-pentan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-7-yl]-[4-(methylamino)cyclohexyl]methanol?
The canonical SMILES for [4-amino-2-[(2S)-pentan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-7-yl]-[4-(methylamino)cyclohexyl]methanol is CCC[C@H](C)Oc1nc(N)c2ncc(C(O)C3CCC(NC)CC3)n2n1.
What is the InChIKey of [4-amino-2-[(2S)-pentan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-7-yl]-[4-(methylamino)cyclohexyl]methanol?
The InChIKey is WHJSNJDZWWWVQA-PXWWDBQQSA-N. The full InChI is InChI=1S/C18H30N6O2/c1-4-5-11(2)26-18-22-16(19)17-21-10-14(24(17)23-18)15(25)12-6-8-13(20-3)9-7-12/h10-13,15,20,25H,4-9H2,1-3H3,(H2,19,22,23)/t11-,12?,13?,15?/m0/s1.
What are the key properties of [4-amino-2-[(2S)-pentan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-7-yl]-[4-(methylamino)cyclohexyl]methanol?
[4-amino-2-[(2S)-pentan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-7-yl]-[4-(methylamino)cyclohexyl]methanol has a molecular weight of 362.48 g/mol, XLogP of 2.09, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-[(2S)-pentan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-7-yl]-[4-(methylamino)cyclohexyl]methanol is sourced from PubChem (CID 155777746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).