N-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide

C17H20N4O — CID 164632822

IUPACN-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide
SMILESO=C(C[C@H]1CCc2ccccc2C1)Nc1nncn1C1CC1
InChIInChI=1S/C17H20N4O/c22-16(19-17-20-18-11-21(17)15-7-8-15)10-12-5-6-13-3-1-2-4-14(13)9-12/h1-4,11-12,15H,5-10H2,(H,19,20,22)/t12-/m0/s1
InChIKeyPHFSBOPUCZITGK-LBPRGKRZSA-N
MW296.37 g/mol
LogP2.75
Rot. Bonds4

About N-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide

N-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide (PubChem CID 164632822) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is N-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide
PubChem CID164632822
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC NameN-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide
SMILESO=C(C[C@H]1CCc2ccccc2C1)Nc1nncn1C1CC1
InChIInChI=1S/C17H20N4O/c22-16(19-17-20-18-11-21(17)15-7-8-15)10-12-5-6-13-3-1-2-4-14(13)9-12/h1-4,11-12,15H,5-10H2,(H,19,20,22)/t12-/m0/s1
InChIKeyPHFSBOPUCZITGK-LBPRGKRZSA-N
XLogP2.75
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide?
The IUPAC name of N-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide (CID 164632822) is N-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide.
What is the SMILES notation for N-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide?
The canonical SMILES for N-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide is O=C(C[C@H]1CCc2ccccc2C1)Nc1nncn1C1CC1.
What is the InChIKey of N-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide?
The InChIKey is PHFSBOPUCZITGK-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20N4O/c22-16(19-17-20-18-11-21(17)15-7-8-15)10-12-5-6-13-3-1-2-4-14(13)9-12/h1-4,11-12,15H,5-10H2,(H,19,20,22)/t12-/m0/s1.
What are the key properties of N-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide?
N-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide has a molecular weight of 296.37 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide is sourced from PubChem (CID 164632822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).