N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine

C17H21FN4 — CID 86782213

IUPACN-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESFc1ccc2c(c1)CCCC2NCCn1cnnc1C1CC1
InChIInChI=1S/C17H21FN4/c18-14-6-7-15-13(10-14)2-1-3-16(15)19-8-9-22-11-20-21-17(22)12-4-5-12/h6-7,10-12,16,19H,1-5,8-9H2
InChIKeyLYTGDVJNCNDFEG-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.96
Rot. Bonds5

About N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine

N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 86782213) has the molecular formula C17H21FN4 and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID86782213
Molecular FormulaC17H21FN4
Molecular Weight300.38 g/mol
Exact Mass300.18
IUPAC NameN-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESFc1ccc2c(c1)CCCC2NCCn1cnnc1C1CC1
InChIInChI=1S/C17H21FN4/c18-14-6-7-15-13(10-14)2-1-3-16(15)19-8-9-22-11-20-21-17(22)12-4-5-12/h6-7,10-12,16,19H,1-5,8-9H2
InChIKeyLYTGDVJNCNDFEG-UHFFFAOYSA-N
XLogP2.96
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine with MolForge

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Related Compounds

5-fluoro-N-(2-pyrazol-1-ylethyl)-2,3-dihydro-1H-inden-1-amine
CID 115888863
5-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]pentan-1-ol
CID 107303158
N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]acetamide
CID 157038001
3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanenitrile
CID 115591788
5-fluoro-N-(2-methylsulfanylethyl)-2,3-dihydro-1H-inden-1-amine
CID 115706133
2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]ethylurea
CID 116531124
5-fluoro-N-octyl-2,3-dihydro-1H-inden-1-amine
CID 116531093
N-(cyclohexylmethyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 116530842
6-methoxy-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 80685808
3-[[(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]benzoic acid
CID 122032178
5-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 113260866
N-[2-(2,2-difluoroethoxy)ethyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 103082723

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine (CID 86782213) is N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine is Fc1ccc2c(c1)CCCC2NCCn1cnnc1C1CC1.
What is the InChIKey of N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is LYTGDVJNCNDFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4/c18-14-6-7-15-13(10-14)2-1-3-16(15)19-8-9-22-11-20-21-17(22)12-4-5-12/h6-7,10-12,16,19H,1-5,8-9H2.
What are the key properties of N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine?
N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 300.38 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 86782213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).