tert-butyl N-[2-[5-[[(2-methyl-1,2,4-triazol-3-yl)amino]methyl]-1H-indol-3-yl]ethyl]carbamate

C19H26N6O2 — CID 19970909

IUPACtert-butyl N-[2-[5-[[(2-methyl-1,2,4-triazol-3-yl)amino]methyl]-1H-indol-3-yl]ethyl]carbamate
SMILESCn1ncnc1NCc1ccc2[nH]cc(CCNC(=O)OC(C)(C)C)c2c1
InChIInChI=1S/C19H26N6O2/c1-19(2,3)27-18(26)20-8-7-14-11-21-16-6-5-13(9-15(14)16)10-22-17-23-12-24-25(17)4/h5-6,9,11-12,21H,7-8,10H2,1-4H3,(H,20,26)(H,22,23,24)
InChIKeyVWSILEZQPTUGCE-UHFFFAOYSA-N
MW370.46 g/mol
LogP2.98
Rot. Bonds6

About tert-butyl N-[2-[5-[[(2-methyl-1,2,4-triazol-3-yl)amino]methyl]-1H-indol-3-yl]ethyl]carbamate

tert-butyl N-[2-[5-[[(2-methyl-1,2,4-triazol-3-yl)amino]methyl]-1H-indol-3-yl]ethyl]carbamate (PubChem CID 19970909) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is tert-butyl N-[2-[5-[[(2-methyl-1,2,4-triazol-3-yl)amino]methyl]-1H-indol-3-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[5-[[(2-methyl-1,2,4-triazol-3-yl)amino]methyl]-1H-indol-3-yl]ethyl]carbamate
PubChem CID19970909
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Nametert-butyl N-[2-[5-[[(2-methyl-1,2,4-triazol-3-yl)amino]methyl]-1H-indol-3-yl]ethyl]carbamate
SMILESCn1ncnc1NCc1ccc2[nH]cc(CCNC(=O)OC(C)(C)C)c2c1
InChIInChI=1S/C19H26N6O2/c1-19(2,3)27-18(26)20-8-7-14-11-21-16-6-5-13(9-15(14)16)10-22-17-23-12-24-25(17)4/h5-6,9,11-12,21H,7-8,10H2,1-4H3,(H,20,26)(H,22,23,24)
InChIKeyVWSILEZQPTUGCE-UHFFFAOYSA-N
XLogP2.98
TPSA96.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[2-[5-[[(2-methyl-1,2,4-triazol-3-yl)amino]methyl]-1H-indol-3-yl]ethyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[2-(5-prop-2-enoxy-1H-indol-3-yl)ethyl]carbamate
CID 57379273
tert-butyl N-[2-[5-[(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]-1H-indol-3-yl]ethyl]carbamate
CID 10430739
4-[[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1H-indol-5-yl]oxy]butanoic acid
CID 177224791
tert-butyl N-[2-[5-(benzenesulfonyl)-1H-indol-3-yl]ethyl]carbamate
CID 10135626
tert-butyl N-[2-[2-(5-fluoro-1H-indol-3-yl)ethylamino]ethyl]carbamate
CID 67394852
tert-butyl N-[2-[5-(4-benzoylphenyl)-1H-indol-3-yl]ethyl]carbamate
CID 70053183
tert-butyl N-[(5-chloro-1H-indol-3-yl)methyl]carbamate
CID 71299888
methyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate
CID 110731487
tert-butyl N-[2-(6-phenylmethoxy-1H-indol-3-yl)ethyl]carbamate
CID 21071678
2-[5-(hydroxymethyl)-1H-indol-3-yl]ethylcarbamic acid
CID 70391610
N-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1-methylimidazol-2-amine
CID 19970906
tert-butyl N-[2-[5-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]ethyl]carbamate
CID 19022933

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[5-[[(2-methyl-1,2,4-triazol-3-yl)amino]methyl]-1H-indol-3-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[5-[[(2-methyl-1,2,4-triazol-3-yl)amino]methyl]-1H-indol-3-yl]ethyl]carbamate (CID 19970909) is tert-butyl N-[2-[5-[[(2-methyl-1,2,4-triazol-3-yl)amino]methyl]-1H-indol-3-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[5-[[(2-methyl-1,2,4-triazol-3-yl)amino]methyl]-1H-indol-3-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[5-[[(2-methyl-1,2,4-triazol-3-yl)amino]methyl]-1H-indol-3-yl]ethyl]carbamate is Cn1ncnc1NCc1ccc2[nH]cc(CCNC(=O)OC(C)(C)C)c2c1.
What is the InChIKey of tert-butyl N-[2-[5-[[(2-methyl-1,2,4-triazol-3-yl)amino]methyl]-1H-indol-3-yl]ethyl]carbamate?
The InChIKey is VWSILEZQPTUGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-19(2,3)27-18(26)20-8-7-14-11-21-16-6-5-13(9-15(14)16)10-22-17-23-12-24-25(17)4/h5-6,9,11-12,21H,7-8,10H2,1-4H3,(H,20,26)(H,22,23,24).
What are the key properties of tert-butyl N-[2-[5-[[(2-methyl-1,2,4-triazol-3-yl)amino]methyl]-1H-indol-3-yl]ethyl]carbamate?
tert-butyl N-[2-[5-[[(2-methyl-1,2,4-triazol-3-yl)amino]methyl]-1H-indol-3-yl]ethyl]carbamate has a molecular weight of 370.46 g/mol, XLogP of 2.98, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[5-[[(2-methyl-1,2,4-triazol-3-yl)amino]methyl]-1H-indol-3-yl]ethyl]carbamate is sourced from PubChem (CID 19970909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).