5-cyclopropyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)triazol-4-amine

C16H20N4 — CID 79537679

IUPAC5-cyclopropyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)triazol-4-amine
SMILESNc1nnn(CC2CCCc3ccccc32)c1C1CC1
InChIInChI=1S/C16H20N4/c17-16-15(12-8-9-12)20(19-18-16)10-13-6-3-5-11-4-1-2-7-14(11)13/h1-2,4,7,12-13H,3,5-6,8-10,17H2
InChIKeySXRMHIJIHWZPBE-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.86
Rot. Bonds3

About 5-cyclopropyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)triazol-4-amine

5-cyclopropyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)triazol-4-amine (PubChem CID 79537679) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 5-cyclopropyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)triazol-4-amine.

Molecular Properties

Compound Name5-cyclopropyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)triazol-4-amine
PubChem CID79537679
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name5-cyclopropyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)triazol-4-amine
SMILESNc1nnn(CC2CCCc3ccccc32)c1C1CC1
InChIInChI=1S/C16H20N4/c17-16-15(12-8-9-12)20(19-18-16)10-13-6-3-5-11-4-1-2-7-14(11)13/h1-2,4,7,12-13H,3,5-6,8-10,17H2
InChIKeySXRMHIJIHWZPBE-UHFFFAOYSA-N
XLogP2.86
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyridazin-3-one
CID 116788347
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine;hydrochloride
CID 171991657
2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115619085
1-(iodomethyl)-1,2,3,4-tetrahydronaphthalene
CID 2763030
1-(bromomethyl)-1,2,3,4-tetrahydronaphthalene
CID 13067239
2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,3,2-dioxazolidine-4,5-dione
CID 44784874
[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)imidazol-2-yl]methanamine
CID 63771609
1-[3,5-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrazol-4-yl]ethanol
CID 63771143
4-(1-chloroethyl)-3,5-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrazole
CID 63771481
1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-2,3-dihydroindol-6-amine
CID 63773328
2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)ethanamine
CID 63772452

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)triazol-4-amine?
The IUPAC name of 5-cyclopropyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)triazol-4-amine (CID 79537679) is 5-cyclopropyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)triazol-4-amine.
What is the SMILES notation for 5-cyclopropyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)triazol-4-amine?
The canonical SMILES for 5-cyclopropyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)triazol-4-amine is Nc1nnn(CC2CCCc3ccccc32)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)triazol-4-amine?
The InChIKey is SXRMHIJIHWZPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c17-16-15(12-8-9-12)20(19-18-16)10-13-6-3-5-11-4-1-2-7-14(11)13/h1-2,4,7,12-13H,3,5-6,8-10,17H2.
What are the key properties of 5-cyclopropyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)triazol-4-amine?
5-cyclopropyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)triazol-4-amine has a molecular weight of 268.36 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)triazol-4-amine is sourced from PubChem (CID 79537679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).