1-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine

C15H20N4 — CID 54885064

IUPAC1-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine
SMILESCC(NCc1ncn[nH]1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C15H20N4/c1-11(16-9-15-17-10-18-19-15)13-7-6-12-4-2-3-5-14(12)8-13/h6-8,10-11,16H,2-5,9H2,1H3,(H,17,18,19)
InChIKeySDJORLGKMVMJCP-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.53
Rot. Bonds4

About 1-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine

1-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine (PubChem CID 54885064) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine
PubChem CID54885064
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name1-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine
SMILESCC(NCc1ncn[nH]1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C15H20N4/c1-11(16-9-15-17-10-18-19-15)13-7-6-12-4-2-3-5-14(12)8-13/h6-8,10-11,16H,2-5,9H2,1H3,(H,17,18,19)
InChIKeySDJORLGKMVMJCP-UHFFFAOYSA-N
XLogP2.53
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 43079812
N-(2-propan-2-yloxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 115574841
2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethanol
CID 43151079
N-[(2-methylpyrimidin-4-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 61015757
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 60695990
N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propane-1,3-diamine
CID 60889722
1-(2,3-dihydro-1H-inden-5-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 61281399
2,3-dimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butan-1-amine
CID 64568274
2-[[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 135569844
N-(furan-3-ylmethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 62999731
1-(2,3-dihydro-1H-inden-5-yl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 63305868
1-(2,3-dihydro-1H-inden-5-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 103786274

Frequently Asked Questions

What is the IUPAC name of 1-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine?
The IUPAC name of 1-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine (CID 54885064) is 1-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine.
What is the SMILES notation for 1-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine?
The canonical SMILES for 1-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine is CC(NCc1ncn[nH]1)c1ccc2c(c1)CCCC2.
What is the InChIKey of 1-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine?
The InChIKey is SDJORLGKMVMJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-11(16-9-15-17-10-18-19-15)13-7-6-12-4-2-3-5-14(12)8-13/h6-8,10-11,16H,2-5,9H2,1H3,(H,17,18,19).
What are the key properties of 1-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine?
1-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine has a molecular weight of 256.35 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine is sourced from PubChem (CID 54885064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).