9H-fluoren-9-ylmethyl N-[(1S)-1-(5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl]carbamate

C24H22N4O3 — CID 144683784

IUPAC9H-fluoren-9-ylmethyl N-[(1S)-1-(5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl]carbamate
SMILESCc1ccn2nc([C@H](C)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c(=O)c12
InChIInChI=1S/C24H22N4O3/c1-14-11-12-28-21(14)23(29)26-22(27-28)15(2)25-24(30)31-13-20-18-9-5-3-7-16(18)17-8-4-6-10-19(17)20/h3-12,15,20H,13H2,1-2H3,(H,25,30)(H,26,27,29)/t15-/m0/s1
InChIKeyLMMIWXQIMHBUOX-HNNXBMFYSA-N
MW414.47 g/mol
LogP3.93
Rot. Bonds4

About 9H-fluoren-9-ylmethyl N-[(1S)-1-(5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl]carbamate

9H-fluoren-9-ylmethyl N-[(1S)-1-(5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl]carbamate (PubChem CID 144683784) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[(1S)-1-(5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[(1S)-1-(5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl]carbamate
PubChem CID144683784
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC Name9H-fluoren-9-ylmethyl N-[(1S)-1-(5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl]carbamate
SMILESCc1ccn2nc([C@H](C)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c(=O)c12
InChIInChI=1S/C24H22N4O3/c1-14-11-12-28-21(14)23(29)26-22(27-28)15(2)25-24(30)31-13-20-18-9-5-3-7-16(18)17-8-4-6-10-19(17)20/h3-12,15,20H,13H2,1-2H3,(H,25,30)(H,26,27,29)/t15-/m0/s1
InChIKeyLMMIWXQIMHBUOX-HNNXBMFYSA-N
XLogP3.93
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 9H-fluoren-9-ylmethyl N-[(1S)-1-(5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl]carbamate with MolForge

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Related Compounds

1-(5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethylcarbamic acid
CID 136629126
9H-fluoren-9-ylmethyl N-(1-amino-1-oxopropan-2-yl)carbamate
CID 22905931
(2S)-2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)propanoic acid;hydrate
CID 45157536
2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;hydrochloride
CID 77247911
3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-4-[1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethylamino]butanoic acid
CID 165499561
9H-fluoren-9-ylmethyl N-(1-methoxy-2-methylpropyl)carbamate
CID 102466963
9H-fluoren-9-ylmethyl N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]carbamate
CID 134259383
9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxypropan-2-yl]carbamate
CID 6924106
dimethyl (2R,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanedioate
CID 23651066
9H-fluoren-9-ylmethyl N-[1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamate
CID 15549270
9H-fluoren-9-ylmethyl N-[(2R)-1-iodopropan-2-yl]carbamate
CID 101460179
9H-fluoren-9-ylmethyl N-(1-sulfanylpropan-2-yl)carbamate
CID 20732098

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[(1S)-1-(5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[(1S)-1-(5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl]carbamate (CID 144683784) is 9H-fluoren-9-ylmethyl N-[(1S)-1-(5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[(1S)-1-(5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[(1S)-1-(5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl]carbamate is Cc1ccn2nc([C@H](C)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c(=O)c12.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[(1S)-1-(5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl]carbamate?
The InChIKey is LMMIWXQIMHBUOX-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-14-11-12-28-21(14)23(29)26-22(27-28)15(2)25-24(30)31-13-20-18-9-5-3-7-16(18)17-8-4-6-10-19(17)20/h3-12,15,20H,13H2,1-2H3,(H,25,30)(H,26,27,29)/t15-/m0/s1.
What are the key properties of 9H-fluoren-9-ylmethyl N-[(1S)-1-(5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl]carbamate?
9H-fluoren-9-ylmethyl N-[(1S)-1-(5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl]carbamate has a molecular weight of 414.47 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[(1S)-1-(5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl]carbamate is sourced from PubChem (CID 144683784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).